UCSF

ZINC02802307

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 27 Yes

Popular Name: methyl-[(5S,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]BLAH methyl-[(5S,7R)-5-methyl-7-(trif…

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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) 1.52 7.93 -17.47 1 9 0 91 377.334 2 ↓
Ref Reference (pH 7) 1.70 8.36 -33.49 2 9 1 96 378.342 2 ↓
Lo Low (pH 4.5-6) 1.52 8.23 -59 2 9 1 95 378.342 2 ↓

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Rings

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

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