UCSF

ZINC37918765

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 21 Yes

Popular Name: 4-[[methyl(thieno[3,2-c]pyridin-4-yl)amino]methyl]benzoic 4-[[methyl(thieno[3,2-c]pyridin-…

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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) 3.35 10.54 -60.64 1 4 0 58 298.367 4 ↓
Hi High (pH 8-9.5) 3.35 10.05 -55.2 0 4 -1 56 297.359 4 ↓

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Rings

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

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