UCSF

ZINC04718512

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 24 No

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

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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) 1.66 2.68 -9.93 3 6 0 101 315.336 2 ↓
Ref Reference (pH 7) 1.66 3.36 -10.15 3 6 0 101 315.336 2 ↓
Lo Low (pH 4.5-6) 1.66 3.77 -53.13 4 6 1 102 316.344 2 ↓

Activity (Go SEA)

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