UCSF

ZINC65526658

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 19 Yes

Popular Name: 3-[5-[[(1R,6S)-4,9-diazabicyclo[4.2.1]nonan-4-yl]methyl]-2-thienyl]prop-2-yn-1-ol 3-[5-[[(1R,6S)-4,9-diazabicyclo[…

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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) 1.74 4.06 -39.29 3 3 1 40 277.413 2 ↓
Hi High (pH 8-9.5) 1.74 2.82 -7.51 2 3 0 35 276.405 2 ↓

Activity (Go SEA)

Rings

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

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