In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 29 | Yes |
None
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) | 3.31 | 5.96 | -62.7 | 2 | 7 | 1 | 80 | 418.539 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.31 | 6.85 | -20.09 | 1 | 7 | 0 | 79 | 417.531 | 6 | ↓ |