UCSF

ZINC12537522

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 19 Yes

Popular Name: 3-(4-fluorophenyl)-1-[2-(2-pyridyl)ethyl]urea 3-(4-fluorophenyl)-1-[2-(2-pyrid…

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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) 2.24 4.95 -13.3 2 4 0 54 259.284 4 ↓
Lo Low (pH 4.5-6) 2.24 5.23 -39.69 3 4 1 55 260.292 4 ↓

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

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