UCSF

ZINC20126725

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 Yes

Popular Name: [(3,4-dichlorophenyl)methyl][2-(pyrrolidin-1-yl)ethyl]amine [(3,4-dichlorophenyl)methyl][2-(…

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CAS Number: 827326-63-6

Other Names:

MFCD04399827

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) 3.21 6.07 -48.46 2 2 1 20 274.215 5 ↓
Mid Mid (pH 6-8) 3.21 7.19 -37.11 2 2 1 16 274.215 5 ↓
Mid Mid (pH 6-8) 3.21 8.69 -125.76 3 2 2 21 275.223 5 ↓

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.