In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2008 | 32 | 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) | 2.88 | 10.66 | -40.76 | 2 | 11 | 0 | 152 | 434.412 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 11.82 | -20.08 | 2 | 11 | 0 | 152 | 434.412 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 10.35 | -56.39 | 1 | 11 | -1 | 155 | 433.404 | 5 | ↓ |