UCSF

ZINC36319061

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 No

Popular Name: (4aR,5R)-3-ethyl-1'-methyl-8-nitro-spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,5'-hexahy (4aR,5R)-3-ethyl-1'-methyl-8-nit…

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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) 0.66 3.94 -51.35 1 10 0 126 387.396 2 ↓
Mid Mid (pH 6-8) 1.36 6.34 -53.82 2 10 1 120 388.404 2 ↓
Mid Mid (pH 6-8) 0.66 1.64 -39.31 0 10 -1 125 386.388 2 ↓
Mid Mid (pH 6-8) 1.36 4.05 -10.64 1 10 0 119 387.396 2 ↓

Activity (Go SEA)

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