UCSF

ZINC57993483

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 28 No

Popular Name: 1-(1-adamantyl)-N-(3-methyl-5-oxo-4H-imidazol-2-yl)-4-nitro-pyrazole-3-carboxamide 1-(1-adamantyl)-N-(3-methyl-5-ox…

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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) 1.82 7.89 -60.81 0 10 -1 132 385.404 4 ↓
Lo Low (pH 4.5-6) 1.75 9.08 -18.34 1 10 0 125 386.412 3 ↓

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

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