UCSF

ZINC36110378

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Substance Information

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

Popular Name: (4aR,5R)-1',3-dimethyl-8-nitro-spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,5'-hexahydrop (4aR,5R)-1',3-dimethyl-8-nitro-s…

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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) 0.28 3.26 -54.44 1 10 0 126 373.369 1 ↓
Mid Mid (pH 6-8) 0.98 5.66 -55.88 2 10 1 120 374.377 1 ↓
Mid Mid (pH 6-8) 0.28 0.83 -39.46 0 10 -1 125 372.361 1 ↓
Mid Mid (pH 6-8) 0.98 3.25 -10.94 1 10 0 119 373.369 1 ↓

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