UCSF

ZINC57995710

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 23 No

Popular Name: 1-[[(5-bromo-3-thienyl)methyl-methyl-amino]methyl]-4-(4-chlorophenyl)tetrazole-5-thione 1-[[(5-bromo-3-thienyl)methyl-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) 3.26 11.42 -45.86 1 5 1 40 431.792 5 ↓
Mid Mid (pH 6-8) 3.26 9.09 -7.32 0 5 0 39 430.784 5 ↓

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

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