| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | 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) | 1.23 | 4.76 | -37.72 | 3 | 5 | 1 | 59 | 292.403 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 2.5 | -7.78 | 2 | 5 | 0 | 58 | 291.395 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 3.55 | -40.03 | 3 | 5 | 1 | 62 | 292.403 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
