UCSF

ZINC36125843

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 No

Popular Name: (11bR)-N-(p-tolylsulfonyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline-2-carboxamide (11bR)-N-(p-tolylsulfonyl)-1,3,4…

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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) 2.44 4.43 -60.93 0 6 -1 76 384.481 3 ↓
Mid Mid (pH 6-8) 2.44 6.01 -58.82 2 6 1 74 386.497 3 ↓
Mid Mid (pH 6-8) 2.44 6.56 -65.79 1 6 0 77 385.489 3 ↓

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

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