In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 24 | 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) | 3.10 | 5.67 | -6.07 | 1 | 3 | 0 | 27 | 340.492 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 7.1 | -37.19 | 2 | 3 | 1 | 28 | 341.5 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 8.02 | -38.03 | 2 | 3 | 1 | 28 | 341.5 | 3 | ↓ |