UCSF

ZINC00204079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 0.36 5.2 -54.05 0 4 -1 60 184.215 4
Lo Low (pH 4.5-6) 0.36 3.23 -15.45 1 4 0 58 185.223 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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