UCSF

ZINC36329868

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 33 No

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

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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) 2.15 4.28 -40.7 0 10 -1 125 452.422 2 ↓
Mid Mid (pH 6-8) 1.59 6.71 -53.85 1 10 0 126 453.43 2 ↓
Mid Mid (pH 6-8) 2.15 6.69 -56.37 1 10 0 126 453.43 2 ↓

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