UCSF

ZINC65502718

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 20 Yes

Popular Name: 1-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-imidazol-1-yl-propan-1-on 1-[(9aS)-8-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) -0.61 6.11 -43.35 1 6 1 46 278.38 3 ↓
Hi High (pH 8-9.5) -0.61 3.68 -10.29 0 6 0 45 277.372 3 ↓
Mid Mid (pH 6-8) -0.61 6.63 -80.4 2 6 2 47 279.388 3 ↓

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

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