UCSF

ZINC63959664

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 22 No

Popular Name: (3S)-2-(4-bromophenyl)-3,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyrazole-4-carboxamide (3S)-2-(4-bromophenyl)-3,5-dimet…

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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) 2.50 7.67 -44.87 2 7 -1 92 362.211 3 ↓
Lo Low (pH 4.5-6) 2.50 8.17 -13.3 3 7 0 89 363.219 2 ↓

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

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