UCSF

ZINC39500030

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 20 No

Popular Name: (4S)-4-[(1R,8aR)-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4H-pyrazolo[3,4-d]py (4S)-4-[(1R,8aR)-1-methyl-3,4,6,…

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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) 0.14 3.06 -82.96 4 7 2 86 275.36 1 ↓
Hi High (pH 8-9.5) 0.28 -0.73 -8.6 2 7 0 81 273.344 1 ↓
Mid Mid (pH 6-8) 0.28 1.53 -38.37 3 7 1 82 274.352 1 ↓
Mid Mid (pH 6-8) 0.28 1.5 -88.9 4 7 2 83 275.36 1 ↓
Mid Mid (pH 6-8) 0.14 0.84 -29.43 3 7 1 85 274.352 1 ↓
Mid Mid (pH 6-8) 0.14 3.07 -45.83 3 7 1 83 274.352 1 ↓

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

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