UCSF

ZINC52827786

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 25 Yes

Popular Name: 6-[(6-isopropyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(6-isopropyl-3,4-dihydro-2H-q…

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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) 3.14 9.32 -13.03 1 6 0 67 337.427 3 ↓
Hi High (pH 8-9.5) 3.60 7.33 -47.79 0 6 -1 70 336.419 3 ↓
Lo Low (pH 4.5-6) 3.14 9.93 -47.72 2 6 1 68 338.435 3 ↓

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

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