UCSF

ZINC22167756

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 Yes

Popular Name: (3-(Cyclopentyloxy)phenyl)methanamine hydrochloride (3-(Cyclopentyloxy)phenyl)methan…

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CAS Numbers: 1235441-67-4 , 953717-49-2 , [1235441-67-4]

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) 2.55 4.7 -45.1 3 2 1 37 192.282 3 ↓
Hi High (pH 8-9.5) 2.55 4.3 -3.79 2 2 0 35 191.274 3 ↓
Hi High (pH 8-9.5) 1.82 4.89 -7.11 1 2 0 20 134.182 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 206 - 208 Enamine Building Blocks
MP 206...208 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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