UCSF

ZINC36533598

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 23 Yes

Popular Name: 2,5-Dihydro-5-oxo-1-phenyl-1H-1,2,4-triazole-3-car boxylic acid [2-(dimethylamino)ethyl]amide 2,5-Dihydro-5-oxo-1-phenyl-1H-1,…

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CAS Number: 1233517-97-9

Other Names:

MFCD12407115

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) -0.20 2.34 -33.83 3 9 1 111 320.329 5 ↓
Mid Mid (pH 6-8) -0.20 1.16 -14.4 2 9 0 109 319.321 5 ↓

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

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