UCSF

ZINC42770145

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 12 Yes

CAS Numbers: 1707367-41-6 , N/A

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) 1.88 1.44 -38.35 2 3 1 39 230.085 2
Hi High (pH 8-9.5) 1.88 -0.26 -5.14 1 3 0 34 229.077 2

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.