In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2007 | 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) | 2.23 | 7.6 | -13.96 | 2 | 9 | 0 | 134 | 428.499 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 7.4 | -40.77 | 1 | 9 | -1 | 132 | 427.491 | 8 | ↓ |