UCSF

ZINC55054655

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 Yes

Popular Name: N-[(1S)-1-methyl-2-(3-methyl-2-pyridyl)ethyl]-oxo-BLAHcarboxamide N-[(1S)-1-methyl-2-(3-methyl-2-p…

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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) 1.80 8.96 -18.02 1 5 0 64 347.418 4 ↓
Lo Low (pH 4.5-6) 1.80 9.36 -32.62 2 5 1 65 348.426 4 ↓

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

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