UCSF

ZINC32264553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 17 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) 3.34 4.24 -33.6 0 3 -1 45 242.176 2
Mid Mid (pH 6-8) 2.04 4.61 -9.73 1 3 0 42 243.184 2

Vendor Notes

Note Type Comments Provided By
mp 249 - 251 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem

Activity (Go SEA)

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