UCSF

ZINC00664049

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 Yes

Popular Name: 3-amino-N-(4-fluorophenyl)-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide 3-amino-N-(4-fluorophenyl)-4-(tr…

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CAS Number: 626228-08-8

Other Names:

MFCD03697947

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) 5.94 -0.41 -7.02 3 4 0 68 437.462 3 ↓
Lo Low (pH 4.5-6) 5.94 -0.36 -36.82 4 4 1 69 438.47 3 ↓

Activity (Go SEA)

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