UCSF

ZINC09424602

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 33 No

Popular Name: 5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-h 5-(3-bromo-4-hydroxy-5-methoxy-p…

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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) 2.17 4.64 -45.41 1 9 -1 118 519.324 7 ↓
Hi High (pH 8-9.5) 2.17 5.41 -105.56 0 9 -2 120 518.316 7 ↓
Mid Mid (pH 6-8) 2.62 2.99 -32.41 2 9 0 115 520.332 6 ↓

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