UCSF

ZINC53373847

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 18 Yes

Popular Name: N-[2-(azocan-1-yl)ethyl]-2-(2-thienyl)ethanamine N-[2-(azocan-1-yl)ethyl]-2-(2-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) 3.40 9.49 -119.7 3 2 2 21 268.47 6 ↓
Mid Mid (pH 6-8) 3.40 8.18 -42.59 2 2 1 20 267.462 6 ↓
Mid Mid (pH 6-8) 3.40 8.14 -33.08 2 2 1 16 267.462 6 ↓

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

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