UCSF

ZINC33821819

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 33 No

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

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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) 2.36 5.01 -44.96 0 10 -1 125 448.459 3 ↓
Mid Mid (pH 6-8) 1.80 7.27 -54.9 1 10 0 126 449.467 3 ↓
Mid Mid (pH 6-8) 2.36 7.28 -54.98 1 10 0 126 449.467 3 ↓

Activity (Go SEA)

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