UCSF

ZINC06194087

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 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

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Annotations

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Vendors

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) 5.48 0.29 -9.9 0 4 0 62 475.433 7 ↓
Mid Mid (pH 6-8) 5.86 -0.34 -8.05 0 4 0 62 475.433 7 ↓
Mid Mid (pH 6-8) 6.04 -1.14 -7.85 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.