UCSF

ZINC66323437

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 11 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) 1.45 3.01 -9.29 1 3 0 42 171.562 0
Hi High (pH 8-9.5) 1.45 2.55 -30.04 0 3 -1 40 170.554 0

Vendor Notes

Note Type Comments Provided By
Purity >96% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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