In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 10 | 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) | -1.54 | 3.39 | -90.15 | 3 | 4 | 1 | 61 | 147.198 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.54 | 1.96 | -31.5 | 2 | 4 | 0 | 57 | 146.19 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.54 | 1.14 | -62.98 | 2 | 4 | 0 | 60 | 146.19 | 5 | ↓ |