In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 13th, 2008 | 12 | Yes |
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) | 0.30 | 2.49 | -10.76 | 1 | 4 | 0 | 45 | 163.18 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.30 | 2.74 | -36.45 | 2 | 4 | 1 | 46 | 164.188 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.