In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 17 | 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) | 1.12 | -0.1 | -46.08 | 2 | 5 | -1 | 85 | 231.231 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.27 | 2.73 | -50.84 | 2 | 5 | -1 | 85 | 231.231 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 0.98 | -12.84 | 3 | 5 | 0 | 87 | 232.239 | 2 | ↓ |