UCSF

ZINC37295708

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 No

Popular Name: 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]thiazol-2-amine 4-[[4-(2-chlorophenyl)piperazin-…

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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) 2.74 7.52 -31.45 3 4 1 47 309.846 3 ↓
Mid Mid (pH 6-8) 2.74 5.3 -6.02 2 4 0 45 308.838 3 ↓
Mid Mid (pH 6-8) 2.74 6.02 -28.03 3 4 1 47 309.846 3 ↓
Mid Mid (pH 6-8) 2.74 8.26 -96.89 4 4 2 48 310.854 3 ↓

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Rings

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

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