| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 24 | Yes |
Popular Name: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(3-methyl-5-methylamino-isothiazol-4-yl)methanone [4-[(2-fluorophenyl)methyl]piper…
| 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) | 1.57 | 4.57 | -10.79 | 1 | 5 | 0 | 48 | 348.447 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 6.9 | -48.7 | 2 | 5 | 1 | 50 | 349.455 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
