In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2008 | 34 | 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) | 3.08 | -0.17 | -20.41 | 0 | 8 | 0 | 78 | 458.566 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 0.09 | -44.72 | 1 | 8 | 1 | 79 | 459.574 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.