| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 14 | 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) | -0.45 | 2.02 | -85.01 | 5 | 4 | 2 | 61 | 196.298 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.45 | 1.53 | -48.56 | 4 | 4 | 1 | 60 | 195.29 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.45 | 3.77 | -106.23 | 5 | 4 | 2 | 61 | 196.298 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.45 | 4.29 | -176.03 | 6 | 4 | 3 | 62 | 197.306 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
