UCSF

ZINC65498730

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 21 No

Popular Name: (4S,7aS)-4-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-4,5,7,7a-tetrahydropyrazolo[3,4-b]pyridin-6-one (4S,7aS)-4-[4-(pyrrolidin-1-ylme…

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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) 1.00 4.26 -45.63 2 5 1 58 303.411 3 ↓
Hi High (pH 8-9.5) 1.00 1.79 -7.73 1 5 0 57 302.403 3 ↓

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

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