UCSF

ZINC37300542

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Substance Information

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…

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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) 2.91 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 ↓

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Rings

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

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