In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 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) | 2.50 | 8.15 | -32.96 | 1 | 2 | 1 | 8 | 231.363 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.50 | 5.84 | -2.43 | 0 | 2 | 0 | 6 | 230.355 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 8.16 | -34.41 | 1 | 2 | 1 | 8 | 231.363 | 4 | ↓ |