UCSF

ZINC39115341

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 14 Yes

Popular Name: 2,3,4,6,7,11b-Hexahydro-1H-pyrazino[2,1-a]isoquinoline 2,3,4,6,7,11b-Hexahydro-1H-pyraz…

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CAS Numbers: 5234-86-6 , 5260-46-8 , 99780-88-8 , [5234-86-6]

Download: MOL2 SDF SMILES Flexibase

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) 1.21 3.83 -41.51 2 2 1 20 189.282 0 ↓
Hi High (pH 8-9.5) 1.21 2.48 -3.43 1 2 0 15 188.274 0 ↓

Activity (Go SEA)

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