UCSF

ZINC08606554

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 32 Yes

Popular Name: 2-(2-hydroxyphenyl)-7-[2-(4-methoxyphenyl)ethyl]-8-phenyl-3,4,7-triazabicyclo[3.3.0]octa-2,9-dien-6- 2-(2-hydroxyphenyl)-7-[2-(4-meth…

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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) 4.60 9.3 -13.84 2 6 0 78 425.488 6 ↓
Hi High (pH 8-9.5) 4.58 9.95 -54.09 0 6 -1 77 424.48 6 ↓
Hi High (pH 8-9.5) 4.58 9.9 -57.27 0 6 -1 77 424.48 6 ↓
Hi High (pH 8-9.5) 4.60 10.25 -38.58 1 6 -1 81 424.48 6 ↓
Mid Mid (pH 6-8) 4.60 10.06 -53.39 1 6 -1 81 424.48 6 ↓

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