UCSF

ZINC09470707

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 No

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

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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) 4.07 10.46 -58.27 0 6 -1 79 505.344 5 ↓
Mid Mid (pH 6-8) 3.49 11.25 -23.03 0 6 0 73 506.352 5 ↓
Mid Mid (pH 6-8) 4.52 10.21 -30.56 1 6 0 76 506.352 4 ↓

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