UCSF

ZINC12138896

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 19 No

Popular Name: 2(1H)-Pyrimidinethione, 4,6-diphenyl-; 4,6-Diphenyl-2(1H)-pyrimidinethione; 4,6-Diphenyl-2-mercaptopyrimidine; LS-135637 2(1H)-Pyrimidinethione, 4,6-diph…

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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) 3.56 9.83 -21 1 2 0 29 264.353 2 ↓
Mid Mid (pH 6-8) 4.29 9.47 -56.85 0 2 -1 26 263.345 2 ↓

Activity (Go SEA)

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