UCSF

ZINC03995974

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 27 Yes

Popular Name: [6-isopropyl-2-(8-methylaminooctylsulfanyl)-3-pyridyl]-(2-thienyl)methanone [6-isopropyl-2-(8-methylaminooct…

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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) 6.40 12.68 -42.76 2 3 1 47 405.653 13 ↓

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