| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 15 | 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) | -0.44 | 6.1 | -90.19 | 4 | 4 | 2 | 50 | 210.325 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 5.91 | -123.64 | 4 | 4 | 2 | 50 | 210.325 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 5.59 | -43.28 | 3 | 4 | 1 | 48 | 209.317 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 6.43 | -179.81 | 5 | 4 | 3 | 51 | 211.333 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
