UCSF

ZINC59816907

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 33 No

Popular Name: 2-tert-butyl-5-[(2S)-2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-(4-nitrophenyl)-[1,2,4]triazolo[1, 2-tert-butyl-5-[(2S)-2-(dimethyl…

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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) 4.98 13.4 -13.23 0 9 0 106 447.543 5 ↓
Mid Mid (pH 6-8) 4.98 16.32 -50.08 1 9 1 107 448.551 5 ↓

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

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