In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 18 | 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) | 2.40 | 8.4 | -110.94 | 4 | 2 | 2 | 32 | 248.414 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 6.16 | -40.95 | 3 | 2 | 1 | 31 | 247.406 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 8.07 | -34.89 | 3 | 2 | 1 | 30 | 247.406 | 5 | ↓ |