UCSF

ZINC33706660

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 5.12 9.66 -13.23 1 8 0 89 483.59 9
Lo Low (pH 4.5-6) 1.45 10.6 -42.62 2 8 1 89 484.598 10

Activity (Go SEA)

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