In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2006 | 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) | 1.43 | 6.65 | -9.84 | 1 | 6 | 0 | 67 | 233.275 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 6.15 | -38.38 | 0 | 6 | -1 | 65 | 232.267 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.43 | 5.49 | -42.65 | 2 | 6 | 1 | 68 | 234.283 | 1 | ↓ |