In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 15 | Yes |
Popular Name: (2S)-2-cyano-N-[(3S)-1-methylpyrrolidin-3-yl]pentanamide (2S)-2-cyano-N-[(3S)-1-methylpyr…
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) | 1.16 | 4.87 | -43.24 | 2 | 4 | 1 | 57 | 210.301 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.35 | 2.85 | -37.87 | 1 | 4 | 0 | 64 | 209.293 | 4 | ↓ |