UCSF

ZINC37300537

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Substance Information

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

Other Names:

MFCD12460563

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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 ↓

Vendor Notes

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

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.