UCSF

ZINC32499139

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 13 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) 1.65 4.34 -127.28 4 2 2 33 198.697 1
Hi High (pH 8-9.5) 1.65 1.69 -2.41 2 2 0 24 196.681 1
Hi High (pH 8-9.5) 1.65 3.05 -42.66 3 2 1 29 197.689 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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