UCSF

ZINC09453524

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 31 No

Popular Name: 1-benzyl-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(2-thienyl)-5H-pyrrol 1-benzyl-4-(2,5-dioxabicyclo[4.4…

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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) 3.18 10.03 -54.9 0 6 -1 79 432.477 5 ↓
Mid Mid (pH 6-8) 3.63 7.85 -28.41 1 6 0 76 433.485 4 ↓
Mid Mid (pH 6-8) 2.60 8.85 -24.93 0 6 0 73 433.485 5 ↓

Activity (Go SEA)

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