UCSF

ZINC64539714

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 29 Yes

Popular Name: 1-[[5-(4-pyridyl)-2-pyridyl]methyl]-5-(trifluoromethoxy)indoline-2,3-dione 1-[[5-(4-pyridyl)-2-pyridyl]meth…

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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) 2.94 7.54 -10.54 0 6 0 74 399.328 5 ↓
Lo Low (pH 4.5-6) 2.94 8 -43.05 1 6 1 75 400.336 5 ↓

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

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