UCSF

ZINC34376323

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 14 Yes

Popular Name: Benzyl-methyl-pyrrolidin-3-yl-amine Benzyl-methyl-pyrrolidin-3-yl-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1219980-55-8 , 1220172-66-6 , 1353995-07-9 , N/A

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) 1.65 5.03 -33.78 2 2 1 16 191.298 3 ↓
Mid Mid (pH 6-8) 1.64 4.19 -38.45 2 2 1 20 191.298 3 ↓
Lo Low (pH 4.5-6) 1.65 6.45 -108.99 3 2 2 21 192.306 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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