In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 25 | Yes |
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) | 3.72 | 9.46 | -10.49 | 1 | 4 | 0 | 49 | 353.491 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.72 | 11.51 | -47.81 | 2 | 4 | 1 | 50 | 354.499 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.