UCSF

ZINC63952336

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 21 No

Popular Name: (2R,7aS)-3,6,6-trimethyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-2,5,7,7a-tetrahydrobenzofuran-2-carboxamide (2R,7aS)-3,6,6-trimethyl-4-oxo-N…

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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) 0.63 4.98 -41.92 1 7 -1 103 289.315 2 ↓
Lo Low (pH 4.5-6) 0.62 6.96 -15.3 2 7 0 100 290.323 1 ↓

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

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