UCSF

ZINC13282602

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 25 Yes

Popular Name: 5-allyl-3-amino-4,6-dimethyl-N-(p-tolyl)thieno[4,5-e]pyridine-2-carboxamide 5-allyl-3-amino-4,6-dimethyl-N-(…

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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) 4.56 8.06 -10 3 4 0 68 351.475 4 ↓
Lo Low (pH 4.5-6) 4.56 8.32 -33.16 4 4 1 69 352.483 4 ↓

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

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