UCSF

ZINC67725701

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: [2-(2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7-methyl-3-quinolyl]methanol [2-(2-isobutyl-5,7-dihydropyrrol…

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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) 2.81 8.61 -28.52 2 5 1 63 349.458 4 ↓
Mid Mid (pH 6-8) 2.81 7.55 -9.69 1 5 0 62 348.45 4 ↓

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

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