UCSF

ZINC37187138

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 Yes

Popular Name: N-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}pyridin-3-amine N-{bicyclo[2.2.1]hept-5-en-2-ylm…

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CAS Number: 1218493-67-4

Other Names:

MFCD13789326

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) 2.62 5.84 -4.1 1 2 0 25 200.285 3 ↓
Mid Mid (pH 6-8) 2.62 6.3 -30.37 2 2 1 26 201.293 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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