In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | No |
Popular Name: 4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-thiazol-2-amine 4-{[4-(4-fluorophenyl)piperazin-…
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CAS Number: 120652-89-3
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) | 2.27 | 6.79 | -41.25 | 3 | 4 | 1 | 47 | 293.391 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 4.56 | -7.16 | 2 | 4 | 0 | 45 | 292.383 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 6.89 | -109.42 | 4 | 4 | 2 | 48 | 294.399 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 4.68 | -32.62 | 3 | 4 | 1 | 47 | 293.391 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 194 - 196 | Enamine Building Blocks |
MP | 194...196 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.