UCSF

ZINC02560752

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 Yes

Popular Name: (S)-3-isopropylamino-1,2-propanediol (S)-3-isopropylamino-1,2-propane…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6452-57-9 , 90742-94-2 , 97988-45-9 , [90742-94-2]

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) -0.51 -2.72 -36.88 4 3 1 57 134.199 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO2000047212A1 IBM Patent Data

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