In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2007 | 33 | 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) | 4.83 | 7.2 | -13.5 | 3 | 6 | 0 | 89 | 463.896 | 4 | ↓ |
Ref Reference (pH 7) | 4.83 | 7.25 | -11.36 | 3 | 6 | 0 | 89 | 463.896 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.81 | 8.07 | -49.83 | 1 | 6 | -1 | 88 | 462.888 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.81 | 8.01 | -47.07 | 1 | 6 | -1 | 88 | 462.888 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.83 | 8.1 | -32.8 | 2 | 6 | -1 | 92 | 462.888 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.83 | 8.02 | -46.3 | 2 | 6 | -1 | 92 | 462.888 | 4 | ↓ |