In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | No |
Popular Name: (4S)-N-[4-(cyanomethyl)phenyl]thiazolidine-4-carboxamide (4S)-N-[4-(cyanomethyl)phenyl]th…
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) | 1.23 | 4.78 | -48.06 | 3 | 4 | 1 | 69 | 248.331 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.23 | 3.4 | -12.79 | 2 | 4 | 0 | 65 | 247.323 | 3 | ↓ |