In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2008 | 32 | No |
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) | 1.95 | 5.96 | -64.1 | 0 | 8 | -1 | 107 | 457.528 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 5.67 | -15.99 | 1 | 8 | 0 | 104 | 458.536 | 8 | ↓ |