UCSF

ZINC63958775

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 32 Yes

Popular Name: 3-[(5R)-1,4-dimethyl-3,6-dioxo-2,5-dihydropyrazolo[3,4-b]pyridin-5-yl]-N-[1-(m-tolylmethyl)-4-piperi 3-[(5R)-1,4-dimethyl-3,6-dioxo-2…

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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) 2.27 3.6 -46.3 1 8 -1 103 436.536 6 ↓
Mid Mid (pH 6-8) 1.81 5.31 -16.4 2 8 0 100 437.544 6 ↓
Lo Low (pH 4.5-6) 2.27 5.83 -69.73 2 8 0 104 437.544 6 ↓

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

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