UCSF

ZINC36125818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 Yes

Popular Name: 1-[(11bS)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl]-2-(4-methylphenoxy)ethanone 1-[(11bS)-1,3,4,6,7,11b-hexahydr…

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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) 3.26 9.43 -13.57 0 4 0 33 336.435 3 ↓
Mid Mid (pH 6-8) 3.26 11.57 -52.07 1 4 1 34 337.443 3 ↓

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

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