In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 30 | 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) | 4.46 | 9.77 | -8.26 | 0 | 5 | 0 | 35 | 423.561 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.46 | 12.11 | -47.84 | 1 | 5 | 1 | 37 | 424.569 | 4 | ↓ |