In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | No |
None
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) | 4.57 | 8.17 | -13.09 | 0 | 7 | 0 | 70 | 457.482 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.57 | 11.03 | -59.5 | 1 | 7 | 1 | 72 | 458.49 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.