UCSF

ZINC41705968

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 Yes

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

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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) 2.71 9.42 -12.32 0 3 0 35 268.36 3 ↓
Lo Low (pH 4.5-6) 2.71 9.77 -50.81 1 3 1 36 269.368 3 ↓

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Rings

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