UCSF

ZINC19228391

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 13 Yes

Popular Name: 3-(3-Dimethylamino-propylamino)-propionic acid methyl ester 3-(3-Dimethylamino-propylamino)-…

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CAS Numbers: 90796-69-3 , [90796-69-3]

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) -0.13 3.75 -38.48 2 4 1 43 189.279 8 ↓
Mid Mid (pH 6-8) -0.13 2.63 -46.56 2 4 1 46 189.279 8 ↓

Vendor Notes

Note Type Comments Provided By
MP 120-130° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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