In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2008 | 35 | 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) | 4.88 | 11.55 | -55.55 | 0 | 7 | -1 | 88 | 480.581 | 13 | ↓ |
Mid Mid (pH 6-8) | 5.33 | 10 | -27.27 | 1 | 7 | 0 | 85 | 481.589 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.30 | 10.98 | -21.19 | 0 | 7 | 0 | 82 | 481.589 | 13 | ↓ |