UCSF

ZINC33809598

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 29 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) 5.96 12.01 -11.66 1 4 0 55 423.299 5
Lo Low (pH 4.5-6) 5.96 12.44 -41.38 2 4 1 56 424.307 5

Activity (Go SEA)

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