UCSF

ZINC00805078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 16 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) 2.22 7.09 -43.4 2 2 1 29 213.304 4
Mid Mid (pH 6-8) 2.22 5.98 -5.17 1 2 0 25 212.296 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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