UCSF

ZINC29545269

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 25 Yes

Popular Name: N-(3-hydroxy-2-pyridyl)-methyl-BLAHcarboxamide N-(3-hydroxy-2-pyridyl)-methyl-B…

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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) 1.88 6.73 -54.72 1 7 -1 96 336.375 2 ↓
Mid Mid (pH 6-8) 1.88 6.77 -23.92 2 7 0 97 337.383 2 ↓
Mid Mid (pH 6-8) 1.88 5.85 -26.45 2 7 0 93 337.383 2 ↓

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