| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 21st, 2009 | 14 | Yes |
| 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) | 1.69 | 5.77 | -36.34 | 2 | 2 | 1 | 16 | 191.298 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 7.05 | -112.69 | 3 | 2 | 2 | 21 | 192.306 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 4.95 | -31.68 | 2 | 2 | 1 | 20 | 191.298 | 2 | ↓ |
Popular Name: (1S,2R)-N2-isopropyl-N1-methyl-N2-(2,2,2-trifluoroethyl)indane-1,2-diamine (1S,2R)-N2-isopropyl-N1-methyl-N…
| 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) | 3.29 | 7.3 | -34.33 | 2 | 2 | 1 | 20 | 287.349 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 6.23 | -3.63 | 1 | 2 | 0 | 15 | 286.341 | 5 | ↓ |
Popular Name: (1S,2S)-N2-isopropyl-N1-methyl-N2-(2,2,2-trifluoroethyl)indane-1,2-diamine (1S,2S)-N2-isopropyl-N1-methyl-N…
| 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) | 3.29 | 5.93 | -43.79 | 2 | 2 | 1 | 20 | 287.349 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 4.76 | -3.15 | 1 | 2 | 0 | 15 | 286.341 | 5 | ↓ |
