| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-N1-ethyl-N1-methyl-1-(p-tolyl)butane-1,2-diamine (1S,2R)-N1-ethyl-N1-methyl-1-(p-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.49 | 4.52 | -38.76 | 3 | 2 | 1 | 31 | 221.368 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 6.98 | -29.08 | 3 | 2 | 1 | 30 | 221.368 | 5 | ↓ |
Popular Name: (1R,2S)-N,N-diethyl-1,3-diphenyl-propane-1,2-diamine (1R,2S)-N,N-diethyl-1,3-diphenyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.34 | 7.55 | -39.45 | 3 | 2 | 1 | 31 | 283.439 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 8.97 | -33.67 | 3 | 2 | 1 | 30 | 283.439 | 7 | ↓ |
Popular Name: (1S,2S)-N,N-diethyl-1,3-diphenyl-propane-1,2-diamine (1S,2S)-N,N-diethyl-1,3-diphenyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.34 | 8.93 | -38.54 | 3 | 2 | 1 | 31 | 283.439 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 9.84 | -31.61 | 3 | 2 | 1 | 30 | 283.439 | 7 | ↓ |
Popular Name: (1R,2R)-N,N-diethyl-1,3-diphenyl-propane-1,2-diamine (1R,2R)-N,N-diethyl-1,3-diphenyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.34 | 8.39 | -34.4 | 3 | 2 | 1 | 31 | 283.439 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 9.83 | -33.41 | 3 | 2 | 1 | 30 | 283.439 | 7 | ↓ |
Popular Name: (1S,2R)-N,N-diethyl-1,3-diphenyl-propane-1,2-diamine (1S,2R)-N,N-diethyl-1,3-diphenyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.34 | 7.87 | -38.98 | 3 | 2 | 1 | 31 | 283.439 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 9.32 | -35 | 3 | 2 | 1 | 30 | 283.439 | 7 | ↓ |
Popular Name: (1S,2R)-N1-ethyl-N1-methyl-1,3-diphenyl-propane-1,2-diamine (1S,2R)-N1-ethyl-N1-methyl-1,3-d…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.97 | 7.26 | -40.23 | 3 | 2 | 1 | 31 | 269.412 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 9.41 | -35.88 | 3 | 2 | 1 | 30 | 269.412 | 6 | ↓ |
Popular Name: (1R,2R)-N1-ethyl-N1-methyl-1,3-diphenyl-propane-1,2-diamine (1R,2R)-N1-ethyl-N1-methyl-1,3-d…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.97 | 7.97 | -37.03 | 3 | 2 | 1 | 31 | 269.412 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 9.12 | -36.6 | 3 | 2 | 1 | 30 | 269.412 | 6 | ↓ |
