UCSF

ZINC04293187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 28 No

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) 2.57 3.49 -142.67 1 8 -2 118 373.372 3
Lo Low (pH 4.5-6) 2.11 5.03 -54.02 2 8 -1 115 374.38 3

Vendor Notes

Note Type Comments Provided By
mp 218 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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