UCSF

ZINC20123671

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 27 No

Popular Name: (6Z)-3-benzylsulfanyl-6-[(4-hydroxyphenyl)methylene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-on (6Z)-3-benzylsulfanyl-6-[(4-hydr…

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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) 2.16 6.95 -44.22 3 6 1 93 395.489 4 ↓
Hi High (pH 8-9.5) 2.16 9.09 -40.78 2 6 0 96 394.481 4 ↓
Mid Mid (pH 6-8) 2.16 7.02 -115.41 4 6 2 94 396.497 4 ↓

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

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