UCSF

ZINC39267417

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 37 Yes

Popular Name: [4-(6-benzyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-phenyl-pyrazol-3 [4-(6-benzyl-7,8-dihydro-5H-pyri…

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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) 2.98 15.75 -50.41 1 8 1 72 494.623 5 ↓
Hi High (pH 8-9.5) 2.98 13.45 -12.13 0 8 0 70 493.615 5 ↓

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

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