UCSF

ZINC05823300

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 23 No

Popular Name: 5-(2,9-diazabicyclo[4.3.0]nona-1,3,5,8-tetraen-7-ylidenemethyl)-1,3-diethyl-6-hydroxy-2-thioxo-pyrim 5-(2,9-diazabicyclo[4.3.0]nona-1…

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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) 0.77 8.65 -11.39 1 6 0 73 328.397 3 ↓
Lo Low (pH 4.5-6) 1.23 7.13 -39.46 2 6 1 74 329.405 3 ↓

Activity (Go SEA)

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