UCSF

ZINC37115422

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 Yes

Popular Name: 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]benzoic 2-[[(1S,5R)-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) 3.30 7.94 -64 2 4 0 57 260.337 3 ↓
Lo Low (pH 4.5-6) 3.30 5.94 -35.94 3 4 1 54 261.345 3 ↓

Activity (Go SEA)

Rings

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