UCSF

ZINC36125787

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 No

Popular Name: 2-[2-[(11bS)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl]-2-oxo-ethyl]isoindoline-1,3-dio 2-[2-[(11bS)-1,3,4,6,7,11b-hexah…

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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) 2.34 7.95 -17.68 0 6 0 63 375.428 2 ↓
Mid Mid (pH 6-8) 2.34 10.09 -51.68 1 6 1 64 376.436 2 ↓

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

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