UCSF

ZINC41707027

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 Yes

Popular Name: 2,6,6-trimethyl-1-[2-(3-pyridyl)ethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[2-(3-pyridyl)…

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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) 2.87 9.92 -13.94 0 3 0 35 282.387 3 ↓
Lo Low (pH 4.5-6) 2.87 10.39 -51.15 1 3 1 36 283.395 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.