UCSF

ZINC09159486

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 32 No

Popular Name: 2-[4-[4-amino-3-cyano-9-(4-ethoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-trien-2-yl]phenoxy 2-[4-[4-amino-3-cyano-9-(4-ethox…

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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) 2.12 2.14 -18.43 5 9 0 149 431.452 7 ↓
Ref Reference (pH 7) 2.12 2.73 -18.35 5 9 0 149 431.452 7 ↓
Lo Low (pH 4.5-6) 2.12 2.54 -57.51 6 9 1 151 432.46 7 ↓

Activity (Go SEA)

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