UCSF

ZINC04245219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.12 -0 -56.78 4 3 1 61 175.211 1
Lo Low (pH 4.5-6) 1.12 0.36 -101.73 5 3 2 62 176.219 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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