UCSF

ZINC00664007

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 Yes

Popular Name: 3-amino-N-(4-methoxybenzyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide 3-amino-N-(4-methoxybenzyl)-6-me…

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CAS Number: 664999-34-2

Other Names:

MFCD03863307

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) 4.75 -1.96 -7.73 3 5 0 77 449.498 5 ↓
Lo Low (pH 4.5-6) 4.75 -1.93 -36.02 4 5 1 78 450.506 5 ↓

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