UCSF

ZINC02584662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 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) 0.67 4.51 -38.99 2 3 1 39 193.27 7
Lo Low (pH 4.5-6) 0.67 4.8 -100.07 3 3 2 40 194.278 7

Vendor Notes

Note Type Comments Provided By
BP 132-135°/3 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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