UCSF

ZINC69484915

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 Yes

Popular Name: 5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-3-phenyl-isoxazole 5-[(1-cyclopropyl-6,7-dihydro-4H…

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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) 2.48 10.05 -33.5 1 5 1 48 321.404 4 ↓
Hi High (pH 8-9.5) 2.48 9.58 -16.7 0 5 0 47 320.396 4 ↓
Mid Mid (pH 6-8) 2.48 12.28 -106.34 2 5 2 50 322.412 4 ↓
Lo Low (pH 4.5-6) 2.48 11.81 -52.66 1 5 1 48 321.404 4 ↓

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Rings

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

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