UCSF

ZINC08769774

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 29 Yes

Popular Name: 5-(4-hydroxy-3,5-dimethoxy-phenyl)-7-methyl-9-(p-tolyl)-2,8,9-triazabicyclo[4.3.0]nona-2,7,10-trien- 5-(4-hydroxy-3,5-dimethoxy-pheny…

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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) 2.61 7.38 -16.36 2 7 0 86 393.443 4 ↓
Ref Reference (pH 7) 2.80 4.97 -16.67 2 7 0 89 393.443 4 ↓
Lo Low (pH 4.5-6) 2.79 7.52 -41.33 3 7 1 90 394.451 4 ↓

Activity (Go SEA)

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