| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 19 | 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) | 2.82 | 7.12 | -11.46 | 1 | 4 | 0 | 53 | 256.305 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 7.74 | -40.33 | 1 | 4 | 0 | 58 | 256.305 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.82 | 8.13 | -54.59 | 0 | 4 | -1 | 56 | 255.297 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.82 | 6.76 | -41.86 | 2 | 4 | 1 | 55 | 257.313 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
