In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 18 | Yes |
Popular Name: 2-cyano-N-[(3S)-1-methylpyrrolidin-3-yl]-2-propyl-pentanamide 2-cyano-N-[(3S)-1-methylpyrrolid…
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) | 2.63 | 6.45 | -42.15 | 2 | 4 | 1 | 57 | 252.382 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 5.52 | -43.55 | 1 | 4 | 0 | 64 | 251.374 | 6 | ↓ |