UCSF

ZINC55549811

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 27 Yes

Popular Name: 1-(3-chlorophenyl)-3-[2-[4-(4-methylsulfanylphenyl)piperazin-1-yl]ethyl]urea 1-(3-chlorophenyl)-3-[2-[4-(4-me…

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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) 4.15 7.35 -13.12 2 5 0 48 404.967 6 ↓

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Rings

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

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