UCSF

ZINC19737405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 12 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) -0.17 2.84 -8.47 3 5 0 73 163.184 1
Mid Mid (pH 6-8) 0.22 1.45 -111.05 4 5 2 71 165.2 1
Mid Mid (pH 6-8) 0.22 1.45 -111.04 4 5 2 71 165.2 1
Lo Low (pH 4.5-6) -0.17 3.11 -37.97 4 5 1 74 164.192 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.