UCSF

ZINC00154280

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 3-(2,3-dihydro-1H-indol-1-yl)propanoic acid 3-(2,3-dihydro-1H-indol-1-yl)pro…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 99855-02-4 , [99855-02-4]

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) 1.55 7.19 -45.08 0 3 -1 43 190.222 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 75 - 77° Fluorochem
MP 75-77° Oakwood Chemical
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US3980797 IBM Patent Data

Activity (Go SEA)

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