UCSF

ZINC00281192

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 23 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) 0.55 7.29 -44.53 4 5 0 93 310.353 6
Hi High (pH 8-9.5) 0.55 7.02 -53.04 3 5 -1 91 309.345 6

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific

Activity (Go SEA)

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