In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | No |
Popular Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]thiazol-2-amine 4-[[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 | 6.05 | -6.12 | 2 | 4 | 0 | 45 | 302.447 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 6.77 | -29.51 | 3 | 4 | 1 | 47 | 303.455 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 6.05 | -31.8 | 3 | 4 | 1 | 47 | 303.455 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.