In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 34 | No |
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) | 2.73 | 6.17 | -60.54 | 0 | 8 | -1 | 95 | 461.494 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 8.44 | -69.05 | 1 | 8 | 0 | 96 | 462.502 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 7.69 | -49.6 | 2 | 8 | 1 | 94 | 463.51 | 7 | ↓ |