UCSF

ZINC35566853

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 18 No

CAS Numbers: 68693-11-8 , 93-11-8

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) 1.76 4.39 -20.25 2 3 0 60 259.33 4
Hi High (pH 8-9.5) 1.52 1.75 -50.28 1 3 -1 64 258.322 4

Vendor Notes

Note Type Comments Provided By
Purity 99% APIChem

Activity (Go SEA)

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

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