In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2007 | 34 | 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) | 3.39 | 9.11 | -16.12 | 2 | 8 | 0 | 91 | 458.518 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 3.98 | -15.99 | 2 | 8 | 0 | 98 | 458.518 | 8 | ↓ |