UCSF

ZINC39934041

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 14 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) 1.89 5.26 -120.87 4 2 2 33 192.306 2
Hi High (pH 8-9.5) 1.89 3.92 -36.56 3 2 1 29 191.298 2
Hi High (pH 8-9.5) 1.89 2.61 -2.23 2 2 0 24 190.29 2
Hi High (pH 8-9.5) 1.89 3.97 -39.45 3 2 1 29 191.298 2

Vendor Notes

Note Type Comments Provided By
Purity 95+% 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.