UCSF

ZINC41633608

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 No

Popular Name: 5-[(S)-[2-hydroxyethyl(methyl)amino]-(4-nitrophenyl)methyl]-2-methyl-thiazolo[2,3-e][1,2,4]triazol-6 5-[(S)-[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) 1.64 2.47 -11.74 2 9 0 120 363.399 6 ↓
Mid Mid (pH 6-8) 1.64 3.2 -48.28 1 9 -1 123 362.391 6 ↓
Lo Low (pH 4.5-6) 1.64 5.22 -42.73 2 9 0 124 363.399 6 ↓
Lo Low (pH 4.5-6) 1.64 4.51 -50.47 3 9 1 121 364.407 6 ↓

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

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