In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 28 | 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) | 5.56 | 8.85 | -8.76 | 2 | 5 | 0 | 69 | 436.726 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.56 | 9.61 | -43.03 | 1 | 5 | -1 | 72 | 435.718 | 4 | ↓ |