UCSF

ZINC52833875

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 Yes

Popular Name: 6-[(N-ethyl-2,5-dimethyl-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(N-ethyl-2,5-dimethyl-anilino…

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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) 2.34 9.86 -12.43 1 6 0 67 311.389 4 ↓
Hi High (pH 8-9.5) 2.80 6.12 -44.68 0 6 -1 70 310.381 4 ↓
Lo Low (pH 4.5-6) 2.34 9.07 -45.72 2 6 1 68 312.397 4 ↓

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

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