| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 16 | 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) | 2.08 | 1.87 | -8.51 | 2 | 3 | 0 | 45 | 299.193 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 2.64 | -44.21 | 1 | 3 | -1 | 48 | 298.185 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 3.23 | -48.5 | 3 | 3 | 1 | 50 | 300.201 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
