In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 29 | 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) | 3.08 | 5.52 | -52.63 | 2 | 7 | 1 | 72 | 438.957 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 3.05 | -13.25 | 1 | 7 | 0 | 71 | 437.949 | 6 | ↓ |