In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 12 | Yes |
Popular Name: (2S)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol (2S)-1-[(3S)-3-(dimethylamino)py…
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) | 0.22 | 0.86 | -32.2 | 2 | 3 | 1 | 28 | 173.28 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.22 | 0.72 | -33.01 | 2 | 3 | 1 | 28 | 173.28 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.22 | 3.25 | -100.58 | 3 | 3 | 2 | 29 | 174.288 | 3 | ↓ |