In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2008 | 31 | 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) | 3.54 | 14.8 | -41.58 | 1 | 6 | 1 | 55 | 457.023 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 12.38 | -10.68 | 0 | 6 | 0 | 54 | 456.015 | 6 | ↓ |