| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | 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) | 0.50 | 5.46 | -87.11 | 5 | 5 | 2 | 72 | 275.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 5.03 | -7.87 | 3 | 5 | 0 | 69 | 273.384 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 7.43 | -34.6 | 4 | 5 | 1 | 70 | 274.392 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 5.81 | -167.9 | 6 | 5 | 3 | 73 | 276.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
