| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 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) | -0.28 | 2.55 | -44.65 | 3 | 5 | 1 | 59 | 279.36 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 1.76 | -6.5 | 2 | 5 | 0 | 57 | 278.352 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 4.56 | -130.29 | 4 | 5 | 2 | 60 | 280.368 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
