UCSF

ZINC02575256

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

Download: MOL2 SDF SMILES Flexibase

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) 2.55 1.35 -5.01 0 2 0 18 186.638 3

Vendor Notes

Note Type Comments Provided By
MP 69-71° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT, LACHRYMATOR Matrix Scientific
Warnings Irritant/Lachrymator Matrix Scientific

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Rings

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