| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | 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) | 1.93 | 5.88 | -37.21 | 2 | 4 | 1 | 43 | 279.452 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 3.87 | -6.02 | 1 | 4 | 0 | 42 | 278.444 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.93 | 7.2 | -108.83 | 3 | 4 | 2 | 45 | 280.46 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
