UCSF

ZINC53526769

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 28 Yes

Popular Name: 7-(5-methyl-2-thienyl)-4,7-dioxo-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]heptanamide 7-(5-methyl-2-thienyl)-4,7-dioxo…

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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) 1.56 9.42 -13.99 2 8 0 121 397.46 8 ↓
Mid Mid (pH 6-8) 1.57 8.68 -57.47 1 8 -1 124 396.452 9 ↓

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

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