UCSF

ZINC09358732

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 27 No

Popular Name: 4-amino-9-(4-ethoxyphenyl)-2-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-triene-3-carbonitrile 4-amino-9-(4-ethoxyphenyl)-2-phe…

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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) 3.33 5.32 -8.87 3 6 0 97 358.401 4 ↓
Ref Reference (pH 7) 3.33 4.73 -8.81 3 6 0 97 358.401 4 ↓
Lo Low (pH 4.5-6) 3.33 5.59 -56.03 4 6 1 99 359.409 4 ↓

Activity (Go SEA)

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