In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 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) | 2.79 | 15.59 | -20.35 | 1 | 8 | 0 | 85 | 448.914 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 16.08 | -45.7 | 2 | 8 | 1 | 86 | 449.922 | 7 | ↓ |