In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 31 | 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) | 2.80 | 11.05 | -41.77 | 1 | 7 | 1 | 57 | 423.585 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 8.67 | -7.78 | 0 | 7 | 0 | 56 | 422.577 | 4 | ↓ |