In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 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) | 5.38 | 10.22 | -15.83 | 2 | 7 | 0 | 88 | 463.578 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.15 | 10.54 | -51.77 | 0 | 7 | -1 | 87 | 462.57 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.15 | 10.8 | -58.94 | 0 | 7 | -1 | 87 | 462.57 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.38 | 11.17 | -40.97 | 1 | 7 | -1 | 91 | 462.57 | 9 | ↓ |