UCSF

ZINC60023614

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 Yes

Popular Name: (4aR)-3-[5-(2-pyridyl)pentyl]-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (4aR)-3-[5-(2-pyridyl)pentyl]-2,…

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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) 2.59 9.2 -43.04 2 5 1 50 351.474 6 ↓
Mid Mid (pH 6-8) 2.59 6.94 -9.17 1 5 0 48 350.466 6 ↓
Lo Low (pH 4.5-6) 2.59 9.54 -88.65 3 5 2 51 352.482 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.