UCSF

ZINC67490503

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 21 Yes

Popular Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-9-azaspiro[5.5]undecan-3-amine N-[2-(1-methylimidazol-2-yl)sulf…

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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) 1.54 7.56 -97.22 4 4 2 51 310.511 5 ↓
Mid Mid (pH 6-8) 1.54 8.05 -160.41 5 4 3 52 311.519 5 ↓

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

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