UCSF

ZINC02583310

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 26 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) 2.25 9.39 -47.75 1 6 -1 96 352.366 8
Lo Low (pH 4.5-6) 2.25 7.42 -12.82 2 6 0 93 353.374 8

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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