In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 34 | 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) | 2.58 | 6.82 | -14.19 | 2 | 9 | 0 | 106 | 467.57 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 3.14 | -37.17 | 3 | 9 | 1 | 114 | 468.578 | 8 | ↓ |