In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 30 | 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) | 2.94 | 7 | -14.2 | 2 | 6 | 0 | 78 | 427.57 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 9.12 | -53.86 | 3 | 6 | 1 | 80 | 428.578 | 9 | ↓ |