UCSF

ZINC38589264

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 25 Yes

Popular Name: 1-cyclohexyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea 1-cyclohexyl-3-[2-[4-(4-fluoroph…

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Annotations

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Vendors

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) 3.44 7.96 -50.88 3 5 1 49 349.474 5 ↓
Mid Mid (pH 6-8) 3.44 5.75 -10.82 2 5 0 48 348.466 5 ↓

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

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