In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2004 | 33 | 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) | 2.75 | -3.29 | -13.88 | 1 | 8 | 0 | 96 | 462.531 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.75 | -3.16 | -44.55 | 2 | 8 | 1 | 97 | 463.539 | 5 | ↓ |