UCSF

ZINC09334797

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 21 Yes

Popular Name: 4-hydroxy-2-(4-hydroxyphenyl)-8-methylsulfanyl-5,7,9-triazabicyclo[4.4.0]deca-4,7,11-trien-10-one 4-hydroxy-2-(4-hydroxyphenyl)-8-…

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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) 2.06 0.42 -40.46 2 6 -1 98 302.335 2 ↓
Mid Mid (pH 6-8) 1.60 1.82 -17.35 3 6 0 95 303.343 2 ↓
Mid Mid (pH 6-8) 1.78 -0.39 -12.09 3 6 0 99 303.343 2 ↓
Mid Mid (pH 6-8) 1.60 2.35 -11.65 3 6 0 95 303.343 2 ↓

Activity (Go SEA)

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