UCSF

ZINC06420758

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 25 No

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

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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) 2.06 4.07 -9.83 3 6 0 101 329.363 2 ↓
Lo Low (pH 4.5-6) 2.06 3.64 -51.91 4 6 1 102 330.371 2 ↓
Lo Low (pH 4.5-6) 2.06 3.86 -36.32 4 6 1 102 330.371 2 ↓
Lo Low (pH 4.5-6) 2.06 4.53 -35.86 4 6 1 102 330.371 2 ↓

Activity (Go SEA)

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