UCSF

ZINC08855023

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 No

Popular Name: 4-amino-9-benzo[1,3]dioxol-5-yl-2-(4-ethoxy-3,5-dimethoxy-phenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona- 4-amino-9-benzo[1,3]dioxol-5-yl-…

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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) 2.79 3.83 -16.89 3 10 0 134 462.462 6 ↓
Lo Low (pH 4.5-6) 2.79 4.13 -71.25 4 10 1 136 463.47 6 ↓

Activity (Go SEA)

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