UCSF

ZINC20889958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 Yes

Popular Name: 3-(4-bromo-2-fluoro-phenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]urea 3-(4-bromo-2-fluoro-phenyl)-1-[3…

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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) 4.24 8.42 -51.63 3 5 1 49 436.349 6 ↓
Mid Mid (pH 6-8) 4.24 6.04 -10.74 2 5 0 48 435.341 6 ↓

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

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