UCSF

ZINC59256600

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2011 32 No

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

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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) 1.98 4.2 -45.06 0 10 -1 125 434.432 2 ↓
Mid Mid (pH 6-8) 1.98 6.61 -58.1 1 10 0 126 435.44 2 ↓
Lo Low (pH 4.5-6) 2.13 9 -58.14 2 10 1 120 436.448 2 ↓

Activity (Go SEA)

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