| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 21 | Yes |
Popular Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]thiazol-5-yl]methanamine [2-[4-(2,3-dimethylphenyl)pipera…
| 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) | 2.91 | 7.67 | -45.76 | 3 | 4 | 1 | 47 | 303.455 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 7.26 | -5.4 | 2 | 4 | 0 | 45 | 302.447 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.91 | 7.57 | -90.2 | 4 | 4 | 2 | 48 | 304.463 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
