| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 13 | 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) | 1.20 | 5.63 | -100.97 | 3 | 2 | 2 | 21 | 184.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 3.67 | -37.07 | 2 | 2 | 1 | 20 | 183.319 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 2.11 | -0.92 | 1 | 2 | 0 | 15 | 182.311 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 4.27 | -28.13 | 2 | 2 | 1 | 16 | 183.319 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
