UCSF

ZINC09357886

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 23 Yes

Popular Name: 4-hydroxy-2-(4-hydroxyphenyl)-8-prop-2-ynylsulfanyl-5,7,9-triazabicyclo[4.4.0]deca-4,7,11-trien-10-o 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) 2.22 1.81 -42.28 2 6 -1 98 326.357 3 ↓
Hi High (pH 8-9.5) 2.39 2.25 -29.32 3 6 0 103 327.365 3 ↓
Mid Mid (pH 6-8) 2.40 -0.92 -50.33 2 6 -1 102 326.357 3 ↓
Lo Low (pH 4.5-6) 1.76 3.22 -17.58 3 6 0 95 327.365 3 ↓
Lo Low (pH 4.5-6) 1.94 1.01 -12.74 3 6 0 99 327.365 3 ↓

Activity (Go SEA)

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