UCSF

ZINC09860951

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 33 No

Popular Name: 4-amino-9-benzo[1,3]dioxol-5-yl-2-(2,3,4-trimethoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10- 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) 2.61 3 -14.89 3 10 0 134 448.435 5 ↓
Mid Mid (pH 6-8) 2.61 1.99 -12.52 3 10 0 134 448.435 5 ↓
Lo Low (pH 4.5-6) 2.61 3.42 -61.22 4 10 1 136 449.443 5 ↓

Activity (Go SEA)

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