UCSF

ZINC02805129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 31 No

Popular Name: (4E)-4-[[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-furyl]methylene]-1-(4-fluorophenyl)-5-keto- (4E)-4-[[5-[(3,5-dimethyl-4-nitr…

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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) 3.18 12.85 -44.43 0 9 -1 112 440.436 5 ↓
Mid Mid (pH 6-8) 3.18 13.26 -21.93 1 9 0 113 441.444 5 ↓

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

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