UCSF

ZINC52830931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 17 Yes

Popular Name: N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-amine N-[[(1R,5S)-8-methyl-8-azabicycl…

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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) 1.37 5.93 -40.03 2 4 1 42 233.339 3 ↓
Mid Mid (pH 6-8) 1.37 6.1 -80.12 3 4 2 43 234.347 3 ↓
Mid Mid (pH 6-8) 1.37 6.1 -78.2 3 4 2 43 234.347 3 ↓

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Rings

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

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