UCSF

ZINC67490140

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: 1-[10-[(3,5-dimethylisoxazol-4-yl)methyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-3-yl]-2-ethyl-buta 1-[10-[(3,5-dimethylisoxazol-4-y…

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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) 2.43 8.06 -52.29 1 6 1 54 377.553 5 ↓
Mid Mid (pH 6-8) 2.43 8.38 -52.82 1 6 1 54 377.553 5 ↓
Mid Mid (pH 6-8) 2.43 6.33 -10.76 0 6 0 53 376.545 5 ↓

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

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