UCSF

ZINC58324512

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 19 Yes

Popular Name: N-[(4-bromo-2-thienyl)methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]metha N-[(4-bromo-2-thienyl)methyl]-1-…

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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) 2.64 6.26 -57.56 3 4 1 46 342.286 4 ↓
Hi High (pH 8-9.5) 2.64 5.08 -7.7 2 4 0 42 341.278 4 ↓
Mid Mid (pH 6-8) 2.64 6.37 -100.35 4 4 2 48 343.294 4 ↓

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

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