In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 15 | 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) | -0.35 | 0.56 | -40.66 | 4 | 3 | 1 | 51 | 227.353 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.35 | -0.58 | -4.4 | 3 | 3 | 0 | 49 | 226.345 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.35 | 1.62 | -33.68 | 4 | 3 | 1 | 51 | 227.353 | 3 | ↓ |