UCSF

ZINC54422295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 24 Yes

Popular Name: (4S)-4-phenyl-1-[[4-(2-pyridyl)piperazin-1-yl]methyl]azetidin-2-one (4S)-4-phenyl-1-[[4-(2-pyridyl)p…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.08 8.76 -34.58 1 5 1 41 323.42 4 ↓
Mid Mid (pH 6-8) 2.08 8.56 -10.15 0 5 0 40 322.412 4 ↓
Lo Low (pH 4.5-6) 2.08 11.25 -97.37 2 5 2 42 324.428 4 ↓

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

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