In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 17 | No |
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) | 0.39 | 2.91 | -51.39 | 2 | 4 | 1 | 54 | 261.411 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.39 | 1.99 | -115.66 | 3 | 4 | 2 | 55 | 262.419 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.