UCSF

ZINC60023635

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 27 Yes

Popular Name: (4aS)-3-[2-(4-pyridyl)ethyl]-8-(trifluoromethyl)-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5- (4aS)-3-[2-(4-pyridyl)ethyl]-8-(…

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Download: MOL2 SDF SMILES Flexibase

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) 2.30 5.61 -9.97 1 5 0 48 376.382 4 ↓
Mid Mid (pH 6-8) 2.30 6.07 -39.58 2 5 1 50 377.39 4 ↓
Mid Mid (pH 6-8) 2.30 7.88 -56.1 2 5 1 50 377.39 4 ↓
Lo Low (pH 4.5-6) 2.30 8.34 -108.46 3 5 2 51 378.398 4 ↓

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Rings

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

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