In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 29 | 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) | 4.28 | 8.12 | -9.51 | 0 | 5 | 0 | 52 | 411.885 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.28 | 11.04 | -45.55 | 1 | 5 | 1 | 53 | 412.893 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.