UCSF

ZINC09243066

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 Yes

Popular Name: 7-benzyl-8-(3-ethoxy-4-hydroxy-phenyl)-2-(2-hydroxy-3,5-dimethyl-phenyl)-3,4,7-triazabicyclo[3.3.0]o 7-benzyl-8-(3-ethoxy-4-hydroxy-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) 4.66 8.41 -13.6 3 7 0 99 469.541 6 ↓
Ref Reference (pH 7) 4.66 8.32 -15.25 3 7 0 99 469.541 6 ↓
Hi High (pH 8-9.5) 4.66 9.17 -42.79 2 7 -1 102 468.533 6 ↓
Hi High (pH 8-9.5) 4.43 9.22 -56.24 1 7 -1 98 468.533 6 ↓
Hi High (pH 8-9.5) 4.43 8.74 -51.34 1 7 -1 98 468.533 6 ↓

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