UCSF

ZINC12233422

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 31 Yes

Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-(3-methyl-2-pyridyl)acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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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) 2.38 -0.14 -14.74 1 8 0 95 436.472 4 ↓
Lo Low (pH 4.5-6) 2.38 -0.5 -38.25 2 8 1 96 437.48 4 ↓

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Rings

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