UCSF

ZINC41633788

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 5-[(R)-[2-hydroxyethyl(methyl)amino]-(4-nitrophenyl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 5-[(R)-[2-hydroxyethyl(methyl)am…

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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) 1.55 2.51 -11.77 2 9 0 120 349.372 6 ↓
Mid Mid (pH 6-8) 1.55 3.22 -44.96 1 9 -1 123 348.364 6 ↓
Lo Low (pH 4.5-6) 1.55 5.38 -43.04 2 9 0 124 349.372 6 ↓
Lo Low (pH 4.5-6) 1.55 4.64 -50.94 3 9 1 121 350.38 6 ↓

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

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