UCSF

ZINC60120506

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 25 Yes

Popular Name: 6-cyclohexyl-4-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl]isoquinoline 6-cyclohexyl-4-[(1S,5R)-8-methyl…

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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) 5.14 13.08 -36.61 1 2 1 17 333.499 2 ↓
Hi High (pH 8-9.5) 5.14 10.69 -4.49 0 2 0 16 332.491 2 ↓
Lo Low (pH 4.5-6) 5.14 13.54 -85.25 2 2 2 19 334.507 2 ↓

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

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