UCSF

ZINC65527014

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: [5-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-pyrrolidin-1-y [5-[(3-hydroxy-6-methyl-2-pyridy…

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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) 0.77 4.09 -30.87 1 7 0 79 341.415 3 ↓
Hi High (pH 8-9.5) 0.77 3.69 -47 0 7 -1 77 340.407 3 ↓
Mid Mid (pH 6-8) 0.77 2.93 -14.06 1 7 0 74 341.415 3 ↓
Lo Low (pH 4.5-6) 0.77 5.2 -53.11 2 7 1 76 342.423 3 ↓

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Rings

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

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