In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2011 | 23 | 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) | 1.17 | 6.67 | -36.6 | 1 | 6 | 1 | 47 | 318.445 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.17 | 8.49 | -110.89 | 2 | 6 | 2 | 48 | 319.453 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.17 | 6.59 | -35.87 | 1 | 6 | 1 | 47 | 318.445 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.