In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 21 | Yes |
Popular Name: 2-[4-[[(1S)-1-(4-fluorophenyl)propyl]amino]-1-piperidyl]acetamide 2-[4-[[(1S)-1-(4-fluorophenyl)pr…
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) | 0.97 | 5.83 | -111.53 | 5 | 4 | 2 | 64 | 295.402 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.97 | 4.97 | -40.85 | 4 | 4 | 1 | 60 | 294.394 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.97 | 3.64 | -44.84 | 4 | 4 | 1 | 63 | 294.394 | 6 | ↓ |