UCSF

ZINC13405694

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 14 No

Popular Name: (1S,5R)-5,8,8-trimethyl-2-methylamino-bicyclo[3.2.1]oct-2-en-4-one (1S,5R)-5,8,8-trimethyl-2-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) 2.30 4.72 -11.19 1 2 0 29 193.29 1 ↓
Mid Mid (pH 6-8) 2.10 4.32 -33.91 1 2 1 31 194.298 0 ↓

Vendor Notes

Note Type Comments Provided By
mp 194 - 196 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

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