UCSF

ZINC04312113

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 25 No

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

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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) 2.39 1.61 -9.17 4 6 0 108 330.347 2 ↓
Ref Reference (pH 7) 2.39 2.3 -9.77 4 6 0 108 330.347 2 ↓
Lo Low (pH 4.5-6) 2.39 2.53 -59.21 5 6 1 110 331.355 2 ↓

Activity (Go SEA)

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