UCSF

ZINC13544271

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: ethyl 4-({[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-1-piperazinyl]carbothioyl}amino)benzoate ethyl 4-({[4-(2-{[(4,4-dimethyl-…

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Other Names:

MFCD02375569

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) 2.75 10.25 -48.21 1 8 -1 97 485.63 10 ↓
Mid Mid (pH 6-8) 1.83 10.73 -21.46 2 8 0 91 486.638 10 ↓

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

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