In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2007 | 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) | 4.26 | 10.72 | -11.64 | 2 | 7 | 0 | 85 | 434.809 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.43 | 10.56 | -41.66 | 3 | 7 | 1 | 90 | 435.817 | 4 | ↓ |