UCSF

ZINC62838534

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 20 Yes

Popular Name: (1S)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(1-methylpyrazolo[3,4-d]…

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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) -0.82 5.56 -58.16 4 6 1 83 269.332 4 ↓
Hi High (pH 8-9.5) -0.82 5.12 -8.67 3 6 0 82 268.324 4 ↓

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

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