| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 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) | 1.54 | 6.53 | -35.86 | 3 | 3 | 1 | 40 | 291.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 5.89 | -3.15 | 2 | 3 | 0 | 38 | 290.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 8.44 | -120.61 | 4 | 3 | 2 | 41 | 292.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
