In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 18 | Yes |
Popular Name: (2S)-N-[(2,5-difluorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(2,5-difluorophenyl)meth…
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) | 3.79 | 7.61 | -3.7 | 1 | 1 | 0 | 12 | 267.344 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.79 | 8.8 | -35.36 | 2 | 1 | 1 | 17 | 268.352 | 5 | ↓ |
Popular Name: 3-fluoro-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]benzamide 3-fluoro-N-[(1R)-1-methyl-2-(2-t…
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) | 3.30 | 7.45 | -10.18 | 1 | 2 | 0 | 29 | 263.337 | 4 | ↓ |
Popular Name: 3-fluoro-N-[(1S)-1-methyl-2-(2-thienyl)ethyl]benzamide 3-fluoro-N-[(1S)-1-methyl-2-(2-t…
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) | 3.30 | 7.44 | -8.9 | 1 | 2 | 0 | 29 | 263.337 | 4 | ↓ |
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) | 3.53 | 7.52 | -3.21 | 1 | 1 | 0 | 12 | 231.364 | 5 | ↓ |
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) | 3.53 | 7.55 | -3.05 | 1 | 1 | 0 | 12 | 231.364 | 5 | ↓ |
Popular Name: 2-fluoro-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]benzamide 2-fluoro-N-[(1R)-1-methyl-2-(2-t…
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) | 3.28 | 7.44 | -16.85 | 1 | 2 | 0 | 29 | 263.337 | 4 | ↓ |
Popular Name: 2-fluoro-N-[(1S)-1-methyl-2-(2-thienyl)ethyl]benzamide 2-fluoro-N-[(1S)-1-methyl-2-(2-t…
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) | 3.28 | 7.44 | -14.67 | 1 | 2 | 0 | 29 | 263.337 | 4 | ↓ |