UCSF

ZINC09471246

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 30 No

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

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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) 2.52 7.22 -56.81 0 7 -1 88 428.848 6 ↓
Mid Mid (pH 6-8) 1.94 -1.11 -17.62 0 7 0 82 429.856 6 ↓
Mid Mid (pH 6-8) 2.97 -1.33 -25.18 1 7 0 85 429.856 5 ↓
Mid Mid (pH 6-8) 0.75 4.05 -39.29 1 6 1 65 321.426 3 ↓
Mid Mid (pH 6-8) 0.75 1.65 -7.79 0 6 0 64 320.418 3 ↓

Activity (Go SEA)

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