UCSF

ZINC24716660

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 25 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) 2.71 6.21 -24.78 2 7 0 94 347.367 6
Hi High (pH 8-9.5) 2.71 7.01 -81.24 1 7 -1 97 346.359 6

Vendor Notes

Note Type Comments Provided By
mp 190 - 191 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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