In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 24 | Yes |
Popular Name: 2-[(2S)-4-[[3-(3-dimethylaminopropoxy)phenyl]methyl]-1-methyl-piperazin-2-yl]ethanol 2-[(2S)-4-[[3-(3-dimethylaminopr…
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) | 1.59 | 6.13 | -81.39 | 3 | 5 | 2 | 42 | 337.508 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 6.1 | -85.4 | 3 | 5 | 2 | 42 | 337.508 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 3.76 | -40.9 | 2 | 5 | 1 | 40 | 336.5 | 9 | ↓ |