UCSF

ZINC04599464

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 22 No

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

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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) 2.04 0.84 -8.71 4 6 0 108 296.33 3 ↓
Ref Reference (pH 7) 2.04 0.22 -9.46 4 6 0 108 296.33 3 ↓
Lo Low (pH 4.5-6) 2.04 1.12 -55.74 5 6 1 110 297.338 3 ↓

Activity (Go SEA)

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