| 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) | -0.52 | -2.01 | -41.58 | 4 | 4 | 1 | 63 | 184.263 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.52 | -3.69 | -7.63 | 3 | 4 | 0 | 58 | 183.255 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.52 | 0.47 | -114.17 | 5 | 4 | 2 | 64 | 185.271 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.52 | -1.2 | -37.56 | 4 | 4 | 1 | 60 | 184.263 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
