UCSF

ZINC23358038

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 Yes

Popular Name: N,N-diallyl-2-[(4-benzylpiperazin-1-yl)methyl]oxazole-4-carboxamide N,N-diallyl-2-[(4-benzylpiperazi…

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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) 2.53 9.06 -46.77 1 6 1 54 381.5 9 ↓
Mid Mid (pH 6-8) 2.53 8.92 -44.66 1 6 1 54 381.5 9 ↓
Mid Mid (pH 6-8) 2.53 6.66 -7.46 0 6 0 53 380.492 9 ↓

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Rings

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