In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2009 | 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) | -0.64 | 9.2 | -76.25 | 3 | 9 | -1 | 154 | 465.482 | 9 | ↓ |
Hi High (pH 8-9.5) | -0.64 | 8.07 | -130.22 | 2 | 9 | -2 | 150 | 464.474 | 9 | ↓ |
Mid Mid (pH 6-8) | -0.64 | 7.21 | -46.22 | 4 | 9 | 0 | 152 | 466.49 | 9 | ↓ |