UCSF

ZINC02564231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 25 Yes

Popular Name: 3-Amino-4-(1-ethyl-3-methyl-1 H -pyrazol-4-yl)-6-trifluoromethyl-thieno[2,3- b ]pyridine-2-carboxylic acid amide 3-Amino-4-(1-ethyl-3-methyl-1 H …

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CAS Number: 1005696-22-9

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) 2.53 3.06 -9.61 4 6 0 100 369.372 4 ↓
Lo Low (pH 4.5-6) 2.53 3.26 -34.35 5 6 1 101 370.38 4 ↓

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

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