UCSF

ZINC33795881

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 34 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) 3.04 6.41 -67.77 1 9 -1 125 477.474 6
Lo Low (pH 4.5-6) 3.04 5.59 -20.92 2 9 0 122 478.482 6

Activity (Go SEA)

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