In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2009 | 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) | 3.47 | 11.84 | -44.22 | 2 | 5 | 1 | 54 | 426.556 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.47 | 9.74 | -10.3 | 1 | 5 | 0 | 53 | 425.548 | 7 | ↓ |