In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2008 | 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) | 3.89 | 10.16 | -27.51 | 1 | 7 | 0 | 78 | 434.468 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.89 | 10.46 | -47.56 | 2 | 7 | 1 | 80 | 435.476 | 7 | ↓ |