UCSF

ZINC36125846

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 Yes

Popular Name: [(11bS)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl]-(1-methylsulfonyl-4-piperidyl)methan [(11bS)-1,3,4,6,7,11b-hexahydrop…

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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) 1.31 4.7 -21.73 0 6 0 61 377.51 2 ↓
Mid Mid (pH 6-8) 1.31 6.84 -61.02 1 6 1 62 378.518 2 ↓

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

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