UCSF

ZINC01722746

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: 3-Ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one 3-Ethyl-2-methyl-1,5,6,7-tetrahy…

Find On: PubMed — Wikipedia — Google

CAS Number: 6116-76-3

Other Names:

MFCD00005605

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) 2.19 0.56 -10.76 1 2 0 33 177.247 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID US5163990; US5242892; US5321001; WO1991016820A1 IBM Patent Data

Activity (Go SEA)

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