UCSF

ZINC71531623

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 17 Yes

Popular Name: 4-(1H-indol-3-yl)-6-methyl-pyrimidin-2-amine 4-(1H-indol-3-yl)-6-methyl-pyrim…

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Annotations

Vendors

    None

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) 2.08 6.3 -12.2 3 4 0 68 224.267 1 ↓
Lo Low (pH 4.5-6) 2.08 6.74 -33.19 4 4 1 69 225.275 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997044326A1 IBM Patent Data

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Rings

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

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