In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 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) | 3.09 | 7.49 | -31.69 | 1 | 2 | 1 | 8 | 298.248 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 5.25 | -2.28 | 0 | 2 | 0 | 6 | 297.24 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 7.63 | -37.89 | 1 | 2 | 1 | 8 | 298.248 | 3 | ↓ |