UCSF

ZINC55041932

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 Yes

Popular Name: 5-hydroxy-N-methyl-N-[(1R)-1-methyl-2-(4-methyl-2-pyridyl)ethyl]pyrazine-2-carboxamide 5-hydroxy-N-methyl-N-[(1R)-1-met…

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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) 1.11 4.81 -12.63 1 6 0 79 286.335 4 ↓
Hi High (pH 8-9.5) 1.56 2.69 -44.8 0 6 -1 82 285.327 4 ↓
Mid Mid (pH 6-8) 1.11 5.18 -35.73 2 6 1 80 287.343 4 ↓

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

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