| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 20 | No |
| 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) | 3.66 | 7.16 | -33.24 | 2 | 3 | 1 | 37 | 273.4 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 5.85 | -4.31 | 1 | 3 | 0 | 36 | 272.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 6.01 | -4.15 | 1 | 3 | 0 | 36 | 272.392 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
