| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 16 | Yes |
Popular Name: 3-[[(2S)-3-(dimethylamino)-2-hydroxy-propyl]amino]benzonitrile 3-[[(2S)-3-(dimethylamino)-2-hyd…
| 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) | 0.91 | 3.39 | -43.48 | 3 | 4 | 1 | 60 | 220.296 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 0.94 | -7 | 2 | 4 | 0 | 59 | 219.288 | 5 | ↓ |
