UCSF

ZINC42105178

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 Yes

Popular Name: 5-ethyl-1-[2-(2-pyridyl)ethyl]indoline-2,3-dione 5-ethyl-1-[2-(2-pyridyl)ethyl]in…

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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) 2.42 8.36 -13.28 0 4 0 52 280.327 4 ↓
Lo Low (pH 4.5-6) 2.42 8.71 -44.94 1 4 1 53 281.335 4 ↓

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

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