In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2008 | 34 | 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) | 4.01 | 8.68 | -11.81 | 2 | 7 | 0 | 91 | 452.514 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.01 | -1.99 | -41.9 | 3 | 7 | 1 | 93 | 453.522 | 7 | ↓ |