In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 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) | 1.17 | 7.88 | -18.66 | 0 | 10 | 0 | 106 | 458.526 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.17 | 8.28 | -50.2 | 1 | 10 | 1 | 107 | 459.534 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.