UCSF

ZINC65526850

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 29 Yes

Popular Name: (3aS,7S)-7-phenyl-2-[[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-3aH-imidazo[4,5- (3aS,7S)-7-phenyl-2-[[3-(3-pyrid…

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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) 2.81 4.91 -25.87 2 8 0 110 386.415 4 ↓
Mid Mid (pH 6-8) 2.81 5.34 -45.32 3 8 1 111 387.423 4 ↓
Lo Low (pH 4.5-6) 2.81 5.79 -89.76 4 8 2 112 388.431 4 ↓

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

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