UCSF

ZINC04617704

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 28 No

Popular Name: ethyl 6-[(4-bromobenzyl)sulfanyl]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate ethyl 6-[(4-bromobenzyl)sulfanyl…

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Other Names:

MFCD01114093

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) 5.86 0.52 -9.16 0 4 0 62 475.433 7 ↓
Mid Mid (pH 6-8) 5.48 3.94 -9.26 0 4 0 62 475.433 7 ↓
Mid Mid (pH 6-8) 5.48 3.97 -13.43 0 4 0 62 475.433 7 ↓

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

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