UCSF

ZINC06116679

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 19 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) 2.94 4.21 -10.33 2 4 0 71 254.241 1
Hi High (pH 8-9.5) 3.20 4.34 -42.51 1 4 -1 73 253.233 1
Hi High (pH 8-9.5) 2.94 4.99 -35.71 1 4 -1 73 253.233 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.