In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 18 | 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) | 2.96 | 5.66 | -24.68 | 1 | 3 | 1 | 21 | 242.346 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 7.87 | -39.01 | 1 | 3 | 1 | 21 | 242.346 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 5.4 | -7.42 | 0 | 3 | 0 | 19 | 241.338 | 1 | ↓ |