UCSF

ZINC67934797

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 27 Yes

Popular Name: (2S)-1-(2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-pyridyl)-2-pyrrolidin-1-yl-ethanone (2S)-1-(2-isobutyl-5,7-dihydropy…

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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) 1.18 6.91 -9.12 0 6 0 62 365.481 5 ↓
Lo Low (pH 4.5-6) 1.18 9.12 -39.93 1 6 1 63 366.489 5 ↓
Lo Low (pH 4.5-6) 1.18 9.53 -107.89 2 6 2 65 367.497 5 ↓

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

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