UCSF

ZINC20890133

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 32 Yes

Popular Name: 1-[4-[3-[(3-fluorophenyl)methyl]-7-hydroxy-triazolo[5,4-d]pyrimidin-5-yl]-1-piperidyl]-2-(3-thienyl) 1-[4-[3-[(3-fluorophenyl)methyl]…

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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) 2.15 9.49 -25.69 1 8 0 97 452.515 5 ↓
Hi High (pH 8-9.5) 2.61 7.27 -55 0 8 -1 100 451.507 5 ↓

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

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