| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 17 | 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) | 1.06 | 9.16 | -111.74 | 2 | 4 | 1 | 49 | 241.355 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 6.92 | -67.75 | 1 | 4 | 0 | 48 | 240.347 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 6.7 | -56.56 | 1 | 4 | 0 | 48 | 240.347 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
