In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 35 | 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) | 2.76 | 11.68 | -39.68 | 1 | 9 | 1 | 77 | 477.589 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 11.37 | -15.47 | 0 | 9 | 0 | 76 | 476.581 | 7 | ↓ |