UCSF

ZINC49391828

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 26 No

Popular Name: (E,2R)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-oxo-5-(2-thienyl)pent-4-enenitrile (E,2R)-2-(4-amino-6-anilino-1,3,…

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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) 2.52 12.11 -12.47 3 7 0 118 362.418 6 ↓

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

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