UCSF

ZINC66054749

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 17 Yes

Popular Name: (4aR)-10-bromo-2,3,4,4a,5,7-hexahydro-1H-pyrazino[2,1-d][1,5]benzodiazepin-6-one (4aR)-10-bromo-2,3,4,4a,5,7-hexa…

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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) 2.59 3.25 -45.45 3 4 1 49 297.176 0 ↓
Hi High (pH 8-9.5) 2.59 1.88 -5.8 2 4 0 44 296.168 0 ↓

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

No pre-computed analogs available. Try a structural similarity search.