In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2011 | 22 | No |
None
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) | -1.52 | 6.96 | -51.12 | 2 | 7 | -1 | 117 | 311.358 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.52 | 5.89 | -108.22 | 1 | 7 | -2 | 113 | 310.35 | 5 | ↓ |