In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2007 | 36 | 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) | -2.84 | 1.1 | -89.68 | 6 | 13 | -1 | 219 | 499.456 | 11 | ↓ |
Hi High (pH 8-9.5) | -2.84 | 0.95 | -95.97 | 5 | 13 | -2 | 218 | 498.448 | 11 | ↓ |