UCSF

ZINC35142806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 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) -0.37 2.17 -34.22 3 5 1 60 209.273 5
Hi High (pH 8-9.5) -0.37 1.7 -14.68 2 5 0 59 208.265 5
Mid Mid (pH 6-8) -0.37 3.52 -111.66 4 5 2 65 210.281 5
Mid Mid (pH 6-8) -0.37 3.07 -48.39 3 5 1 64 209.273 5

Activity (Go SEA)

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