UCSF

ZINC52876720

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 29 Yes

Popular Name: N-isobutyl-2-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]benzamide N-isobutyl-2-[[2-[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) 2.47 7.57 -33.28 3 7 1 79 396.515 7 ↓
Mid Mid (pH 6-8) 2.47 7.26 -12.09 2 7 0 78 395.507 7 ↓
Lo Low (pH 4.5-6) 2.47 9.73 -91.28 4 7 2 80 397.523 7 ↓

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

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