UCSF

ZINC36125865

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 Yes

Popular Name: (11bR)-2-(2,5-dimethoxyphenyl)sulfonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (11bR)-2-(2,5-dimethoxyphenyl)su…

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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) 2.76 4.9 -12.25 0 6 0 59 388.489 4 ↓
Mid Mid (pH 6-8) 2.76 7.03 -46.15 1 6 1 60 389.497 4 ↓

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

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