UCSF

ZINC67432732

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

Popular Name: 3-(3-isobutylisoxazole-5-carbonyl)-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-(3-isobutylisoxazole-5-carbony…

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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) 1.10 4.63 -48.31 2 7 1 80 335.428 3 ↓
Mid Mid (pH 6-8) 1.10 2.45 -9.73 1 7 0 79 334.42 3 ↓

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

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