| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 18 | 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) | 1.32 | 5.21 | -34.96 | 3 | 3 | 1 | 34 | 246.378 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 3 | -3.29 | 2 | 3 | 0 | 32 | 245.37 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 5.55 | -35.67 | 3 | 3 | 1 | 34 | 246.378 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 7.78 | -115.14 | 4 | 3 | 2 | 35 | 247.386 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
