UCSF

ZINC08845231

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 37 No

Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-y 4-(2,5-dioxabicyclo[4.4.0]deca-7…

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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) 3.99 10.81 -56.24 0 9 -1 114 520.587 9 ↓
Mid Mid (pH 6-8) 4.44 9.75 -26.07 1 9 0 111 521.595 8 ↓
Mid Mid (pH 6-8) 3.41 10.72 -19.19 0 9 0 108 521.595 9 ↓

Activity (Go SEA)

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