UCSF

ZINC65492431

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 No

Popular Name: [(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-[(4R)-3-(2-thienyl)-4H-pyrazo [(9aS)-8-methyl-3,4,6,7,9,9a-hex…

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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) 0.94 4.66 -51.13 1 6 1 53 332.453 2 ↓
Mid Mid (pH 6-8) 0.94 4.48 -57.99 1 6 1 53 332.453 2 ↓
Mid Mid (pH 6-8) 0.94 2.22 -15.16 0 6 0 52 331.445 2 ↓

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

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