UCSF

ZINC09066545

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 28 Yes

Popular Name: 2-benzo[1,3]dioxol-5-yl-7-(4-methoxyphenyl)-9-methyl-5,7,8-triazabicyclo[4.3.0]nona-4,8,10-trien-4-o 2-benzo[1,3]dioxol-5-yl-7-(4-met…

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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) 2.76 7.44 -11.1 1 7 0 75 377.4 3 ↓
Lo Low (pH 4.5-6) 2.93 7.69 -35.58 2 7 1 79 378.408 3 ↓

Activity (Go SEA)

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