UCSF

ZINC19848930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 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) 2.92 7.55 -16.71 1 4 0 62 324.424 5
Hi High (pH 8-9.5) 3.50 7.38 -47.96 1 4 -1 68 323.416 4

Activity (Go SEA)

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