UCSF

ZINC40444355

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 Yes

Popular Name: N-[2-(4-methyl-1-piperidyl)ethyl]thieno[3,2-c]pyridin-4-amine N-[2-(4-methyl-1-piperidyl)ethyl…

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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) 2.97 9.07 -98.41 3 3 2 31 277.437 4 ↓
Mid Mid (pH 6-8) 2.97 8.7 -39.88 2 3 1 29 276.429 4 ↓

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Rings

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

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