UCSF

ZINC04003951

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 32 No

Popular Name: 4-amino-2-benzo[1,3]dioxol-5-yl-9-(4-ethoxy-3-methoxy-phenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6, 4-amino-2-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) 2.81 3.87 -14.57 3 9 0 125 432.436 5 ↓
Lo Low (pH 4.5-6) 2.81 4.16 -66.97 4 9 1 126 433.444 5 ↓

Activity (Go SEA)

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