UCSF

ZINC55056213

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 No

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) 3.67 7.94 -6.25 2 3 0 53 300.427 3
Mid Mid (pH 6-8) 4.18 7.14 -8.83 3 3 0 55 300.427 3
Mid Mid (pH 6-8) 3.67 7.3 -11.53 2 3 0 53 300.427 3

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.