UCSF

ZINC55545154

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 14 Yes

Popular Name: N-(3-Pyridinylmethyl)(2-thienyl)methanamine N-(3-Pyridinylmethyl)(2-thienyl)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1052514-11-0 , 75251-24-0 , 774191-55-8

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) 1.56 4.23 -5.19 1 2 0 25 204.298 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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