UCSF

ZINC57998412

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 20 Yes

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-c]pyridin-4-amine N-(1,3-benzodioxol-5-ylmethyl)th…

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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) 3.08 6.96 -37.48 2 4 1 45 285.348 3 ↓
Mid Mid (pH 6-8) 3.08 6.6 -8.23 1 4 0 43 284.34 3 ↓

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

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