UCSF

ZINC00163340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 13 Yes

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) 1.61 6.95 -38.29 1 2 1 17 179.287 5
Lo Low (pH 4.5-6) 1.61 7.22 -85.99 2 2 2 19 180.295 5

Vendor Notes

Note Type Comments Provided By
BP 80-81°/0.5 Torr Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4402843 IBM Patent Data

Activity (Go SEA)

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