UCSF

ZINC60120497

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 19 Yes

Popular Name: 4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]isoquinoline 4-[(1R,5S)-8-methyl-8-azabicyclo…

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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) 2.81 9 -36.9 1 2 1 17 253.369 1 ↓
Mid Mid (pH 6-8) 2.81 9.46 -86.52 2 2 2 19 254.377 1 ↓

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

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