| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 20 | Yes |
Popular Name: (3-bromo-2-hydroxy-5-methyl-phenyl)-(4-cyclopropylpiperazin-1-yl)methanone (3-bromo-2-hydroxy-5-methyl-phen…
| 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) | 2.60 | 6.91 | -45.17 | 2 | 4 | 1 | 45 | 340.241 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 4.97 | -49.67 | 0 | 4 | -1 | 47 | 338.225 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 4.15 | -9.7 | 1 | 4 | 0 | 44 | 339.233 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
