In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 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) | 3.23 | 8.11 | -12.69 | 1 | 7 | 0 | 72 | 461.591 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.23 | 10.5 | -57.89 | 2 | 7 | 1 | 73 | 462.599 | 7 | ↓ |