In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 20 | Yes |
Popular Name: 1-cyano-N-[(2S)-2-(4-methyl-1-piperidyl)propyl]cyclopentanecarboxamide 1-cyano-N-[(2S)-2-(4-methyl-1-pi…
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) | 2.53 | 7.69 | -41.3 | 2 | 4 | 1 | 57 | 278.42 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 5.82 | -27.12 | 1 | 4 | 0 | 64 | 277.412 | 4 | ↓ |