UCSF

ZINC59255928

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2011 33 No

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

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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) 2.38 6.97 -11.25 1 10 0 119 449.467 3 ↓
Mid Mid (pH 6-8) 1.68 4.4 -39.79 0 10 -1 125 448.459 3 ↓
Lo Low (pH 4.5-6) 2.38 9.23 -56.54 2 10 1 120 450.475 3 ↓

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