| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 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) | -0.76 | -3.44 | -39.83 | 3 | 4 | 1 | 43 | 186.279 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.76 | -5.13 | -4.04 | 2 | 4 | 0 | 39 | 185.271 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.76 | -2.79 | -32.43 | 3 | 4 | 1 | 40 | 186.279 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.76 | -1.11 | -86.38 | 4 | 4 | 2 | 45 | 187.287 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
