UCSF

ZINC41636545

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 No

Popular Name: 1-[(R)-(2-chlorophenyl)-(6-hydroxythiazolo[2,3-e][1,2,4]triazol-5-yl)methyl]piperidin-4-one 1-[(R)-(2-chlorophenyl)-(6-hydro…

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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) 2.43 7.81 -45.97 2 6 1 72 363.85 3 ↓
Hi High (pH 8-9.5) 2.43 6.73 -47.91 0 6 -1 74 361.834 3 ↓
Mid Mid (pH 6-8) 2.43 6.02 -10.72 1 6 0 71 362.842 3 ↓
Mid Mid (pH 6-8) 2.43 8.52 -44.82 1 6 0 75 362.842 3 ↓

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

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