In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 2nd, 2010 | 24 | 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) | -0.95 | 5.96 | -81.72 | 4 | 7 | 0 | 117 | 341.452 | 8 | ↓ |
Hi High (pH 8-9.5) | -0.95 | 5.64 | -63.98 | 3 | 7 | -1 | 116 | 340.444 | 8 | ↓ |