In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: (2S)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(4-piperidyl)pyrrolidine-2-carboxamide (2S)-N-[[(1R)-cyclohex-3-en-1-yl…
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) | 1.46 | 4.89 | -40.13 | 3 | 4 | 1 | 49 | 292.447 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.46 | 7.07 | -102.76 | 4 | 4 | 2 | 50 | 293.455 | 4 | ↓ |