UCSF

ZINC54431566

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 21 Yes

Popular Name: 4-amino-N-methyl-N-[2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-methyl-N-[2-[methyl-(1…

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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) 0.13 2.88 -39.68 3 8 1 93 297.383 5 ↓
Lo Low (pH 4.5-6) 0.13 5.34 -107.64 4 8 2 94 298.391 5 ↓

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

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