UCSF

ZINC19737004

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 12 Yes

Popular Name: Ethyl 3-[(3-hydroxypropyl)amino]propanoate Ethyl 3-[(3-hydroxypropyl)amino]…

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CAS Numbers: 10494-80-1 , [10494-80-1]

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) -0.41 1.29 -46.84 3 4 1 63 176.236 8 ↓
Hi High (pH 8-9.5) -0.41 -0.13 -8.03 2 4 0 59 175.228 8 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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