UCSF

ZINC53298846

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 17 Yes

Popular Name: 3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-piperazin-1-yl-propan-1-one 3-[(1R,4S)-2-azabicyclo[2.2.1]he…

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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) 0.15 5.31 -96.8 3 4 2 41 239.363 3 ↓
Mid Mid (pH 6-8) 0.15 4.01 -39.04 2 4 1 37 238.355 3 ↓

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Rings

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

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