UCSF

ZINC67458096

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-cyclopentyl-1-[5-methyl-2-[[(3S)-tetrahydrofuran-3-yl]methyl]-2,5,9-triazaspiro[5.5]undecan-9-yl]p 3-cyclopentyl-1-[5-methyl-2-[[(3…

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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) 2.86 8.41 -46.55 1 5 1 37 378.581 5 ↓
Hi High (pH 8-9.5) 2.86 6.55 -9.08 0 5 0 36 377.573 5 ↓
Mid Mid (pH 6-8) 2.86 8.78 -46.34 1 5 1 37 378.581 5 ↓

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

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