UCSF

ZINC36966120

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 Yes

Popular Name: 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRI…

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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) 2.95 9.41 -8.35 4 5 0 91 316.162 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.64e-02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID US4554275; US4593025 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.