In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 24 | 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) | 4.52 | 11.27 | -42.28 | 1 | 2 | 1 | 8 | 363.909 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 8.8 | -2.95 | 0 | 2 | 0 | 6 | 362.901 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 10.37 | -41.2 | 1 | 2 | 1 | 8 | 363.909 | 1 | ↓ |