UCSF

ZINC55477665

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 28 No

Popular Name: (Z)-6-(2-hydroxy-5-nitrobenzylidene)-5-imino-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(2-hydroxy-5-nitrobenzylid…

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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) 2.12 6.57 -42.43 1 9 -1 140 392.376 3 ↓
Mid Mid (pH 6-8) 2.12 5.79 -18.52 2 9 0 137 393.384 3 ↓
Lo Low (pH 4.5-6) 2.12 5.74 -47.58 3 9 1 139 394.392 3 ↓

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

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