| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 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) | 2.26 | 5.17 | -109.55 | 3 | 2 | 2 | 21 | 184.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 1.5 | -0.95 | 1 | 2 | 0 | 15 | 182.311 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 3.5 | -30.3 | 2 | 2 | 1 | 16 | 183.319 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 3.19 | -36.08 | 2 | 2 | 1 | 20 | 183.319 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
