UCSF

ZINC37183537

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 Yes

Popular Name: (1S,5R)-3-(cyclopropylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic (1S,5R)-3-(cyclopropylamino)-8-m…

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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) -1.40 4.28 -31.4 2 4 0 60 224.304 3 ↓
Mid Mid (pH 6-8) -1.40 6.56 -49.34 2 4 0 57 224.304 3 ↓
Mid Mid (pH 6-8) -1.40 6.64 -70.76 3 4 1 61 225.312 3 ↓

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

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