UCSF

ZINC65526098

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 18 No

Popular Name: 1-[(9aR)-2-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-2-isopropylsulfanyl-ethanon 1-[(9aR)-2-methyl-3,4,6,7,9,9a-h…

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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) 0.70 5.55 -41.35 1 4 1 28 272.438 3 ↓
Mid Mid (pH 6-8) 0.70 3.13 -9.88 0 4 0 27 271.43 3 ↓

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

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