UCSF

ZINC06753186

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 27 Yes

Popular Name: 7-(2-hydroxyethyl)-2-(2-hydroxy-5-methyl-phenyl)-8-(p-tolyl)-3,4,7-triazabicyclo[3.3.0]octa-2,9-dien 7-(2-hydroxyethyl)-2-(2-hydroxy-…

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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) 2.98 4.72 -15.15 3 6 0 89 363.417 4 ↓
Hi High (pH 8-9.5) 2.98 5.66 -42.65 2 6 -1 92 362.409 4 ↓

Activity (Go SEA)

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