UCSF

ZINC14987866

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 16 Yes

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

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CAS Number: 149287-38-7

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) 0.93 6.95 -51.55 0 4 -1 60 218.232 3 ↓
Ref Reference (pH 7) 0.93 6.95 -51.51 0 4 -1 60 218.232 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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