UCSF

ZINC20300034

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 Yes

Popular Name: 1-Benzhydrylazetidin-3-amine 1-Benzhydrylazetidin-3-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1189735-08-7 , 1373253-26-9 , 159603-42-6 , 1965305-27-4 , 40432-52-8

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) 2.24 8.11 -126.36 4 2 2 32 240.35 3 ↓
Hi High (pH 8-9.5) 2.24 5.14 -3.73 2 2 0 29 238.334 3 ↓
Mid Mid (pH 6-8) 2.24 5.59 -43.57 3 2 1 31 239.342 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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