UCSF

ZINC71544592

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 Yes

Popular Name: 2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-4H-1,2,4-triazol-3-one 2-phenyl-5-[(1S,5R)-1,3,3-trimet…

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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) 2.67 7.82 -53.5 0 6 -1 74 339.419 2 ↓
Mid Mid (pH 6-8) 2.22 9.22 -9.14 1 6 0 71 340.427 2 ↓

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

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