UCSF

ZINC04171009

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 No

Popular Name: 4-amino-2-(2-propoxyphenyl)-9-(4-pyridyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonit 4-amino-2-(2-propoxyphenyl)-9-(4…

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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) 2.49 4.47 -9.52 3 7 0 110 373.416 5 ↓
Lo Low (pH 4.5-6) 2.49 4.89 -52.69 4 7 1 111 374.424 5 ↓

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Rings

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