UCSF

ZINC35636048

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 30 Yes

Popular Name: 2-[(4R)-4-(4-fluorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-pyri 2-[(4R)-4-(4-fluorophenyl)-1-met…

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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) 1.77 5.91 -20.65 2 8 0 95 409.421 5 ↓
Lo Low (pH 4.5-6) 1.77 6.32 -51.59 3 8 1 96 410.429 5 ↓

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

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