UCSF

ZINC43395785

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.66 8.31 -175.17 5 4 3 49 291.463 3
Hi High (pH 8-9.5) 1.66 7.89 -79.9 4 4 2 48 290.455 3
Hi High (pH 8-9.5) 1.66 7.55 -32.02 3 4 1 47 289.447 3
Mid Mid (pH 6-8) 1.66 7.87 -97.34 4 4 2 48 290.455 3

Activity (Go SEA)

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