In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 17 | Yes |
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) | 4.07 | 7.22 | -4.96 | 2 | 2 | 0 | 39 | 226.323 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.07 | 7.54 | -30.84 | 3 | 2 | 1 | 40 | 227.331 | 1 | ↓ |