In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 21 | Yes |
Popular Name: (2S)-1-(4-benzyl-1-piperidyl)-3-(cyclopropylamino)propan-2-ol (2S)-1-(4-benzyl-1-piperidyl)-3-…
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) | 2.42 | 8.05 | -103.11 | 4 | 3 | 2 | 41 | 290.451 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 8.59 | -39.86 | 3 | 3 | 1 | 44 | 289.443 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 6.7 | -37.32 | 3 | 3 | 1 | 37 | 289.443 | 7 | ↓ |