| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | 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) | 1.78 | 4.98 | -36.28 | 3 | 5 | 1 | 71 | 226.263 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 5.09 | -27.43 | 3 | 5 | 1 | 71 | 226.263 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 4.81 | -10.99 | 2 | 5 | 0 | 70 | 225.255 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 5.26 | -84.06 | 4 | 5 | 2 | 72 | 227.271 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
