In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 13 | 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) | 0.67 | 3.57 | -82.18 | 3 | 3 | 2 | 24 | 187.331 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.67 | 1.29 | -37.66 | 2 | 3 | 1 | 23 | 186.323 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.67 | 3.57 | -99.52 | 3 | 3 | 2 | 24 | 187.331 | 5 | ↓ |