UCSF

ZINC00344424

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one 1-(2-methyl-2,3-dihydro-1H-indol…

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CAS Number: 131880-76-7

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) 1.72 6.06 -7.52 0 2 0 20 175.231 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 58 - 60 KeyOrganics

Activity (Go SEA)

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