UCSF

ZINC00078215

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 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) 2.42 -0.08 -7.5 1 2 0 37 164.204 3

Vendor Notes

Note Type Comments Provided By
BP 174 / 40 TCI
mp 91 MolMall (formerly Molecular Diversity Preservation International)
MP 93 TCI
Purity 95% Fluorochem
Purity 99% Fluorochem

Activity (Go SEA)

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