UCSF

ZINC63020962

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 16 No

Popular Name: 6-(2-amino-1,1-dimethyl-ethyl)pyrrolo[3,4-b]pyridine-5,7-dione 6-(2-amino-1,1-dimethyl-ethyl)py…

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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) -0.39 1.41 -47.14 3 5 1 80 220.252 2 ↓
Hi High (pH 8-9.5) -0.39 1.67 -9.67 2 5 0 78 219.244 2 ↓

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

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