In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 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) | 4.72 | 13.65 | -16.82 | 0 | 5 | 0 | 47 | 419.569 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.72 | 14.04 | -31.66 | 1 | 5 | 1 | 49 | 420.577 | 7 | ↓ |