In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (2S)-2-[[(2R)-2-cyanopropyl]-ethyl-amino]-N-prop-2-ynyl-propanamide (2S)-2-[[(2R)-2-cyanopropyl]-eth…
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) | 0.85 | 5.15 | -42.94 | 2 | 4 | 1 | 57 | 222.312 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.85 | 3.67 | -9.68 | 1 | 4 | 0 | 56 | 221.304 | 6 | ↓ |