In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 32 | 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) | 3.71 | 8.69 | -57.67 | 2 | 7 | 1 | 76 | 428.516 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.71 | 6.23 | -12.5 | 1 | 7 | 0 | 74 | 427.508 | 4 | ↓ |