UCSF

ZINC20119823

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 22 Yes

Popular Name: 6-methyl-5-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyri 6-methyl-5-[5-(4-methyl-1,2,5-ox…

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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) 0.94 4.05 -54.38 2 8 1 107 299.314 2 ↓
Mid Mid (pH 6-8) 0.94 4.44 -109.58 3 8 2 109 300.322 2 ↓
Mid Mid (pH 6-8) 0.94 2.65 -8.19 1 8 0 103 298.306 2 ↓
Mid Mid (pH 6-8) 0.94 3.04 -35.44 2 8 1 104 299.314 2 ↓

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Rings

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

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