UCSF

ZINC69130260

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 35 Yes

Popular Name: (4E)-4-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]methylene]-2-ethyl-1,3-dihydroben (4E)-4-[[5-chloro-1-[(4-fluoroph…

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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) 5.21 14.92 -49.51 1 6 0 75 490.966 5 ↓
Mid Mid (pH 6-8) 5.21 12.67 -57.16 0 6 -1 74 489.958 5 ↓

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

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