UCSF

ZINC62838726

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 20 No

Popular Name: 6-[(2R)-2-amino-2-phenyl-ethyl]pyrrolo[3,4-b]pyridine-5,7-dione 6-[(2R)-2-amino-2-phenyl-ethyl]p…

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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) -0.89 4.36 -40.26 3 5 1 80 268.296 3 ↓
Mid Mid (pH 6-8) -0.89 4.03 -9.77 2 5 0 78 267.288 3 ↓

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

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