In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2008 | 31 | 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) | 2.70 | 5.79 | -28.84 | 4 | 8 | 0 | 120 | 418.453 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 4.32 | -38.61 | 3 | 8 | -1 | 115 | 417.445 | 4 | ↓ |