In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 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) | 1.05 | 5.03 | -101.78 | 4 | 4 | 2 | 48 | 236.363 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.05 | 2.72 | -46.68 | 3 | 4 | 1 | 47 | 235.355 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.05 | 5.44 | -187.96 | 5 | 4 | 3 | 49 | 237.371 | 4 | ↓ |