UCSF

ZINC43805384

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 3.39 9.33 -95.44 3 3 2 24 291.483 7
Hi High (pH 8-9.5) 3.39 7.06 -35.77 2 3 1 23 290.475 7
Mid Mid (pH 6-8) 3.39 8.84 -121.92 3 3 2 24 291.483 7
Mid Mid (pH 6-8) 3.39 7.37 -33.2 2 3 1 20 290.475 7

Activity (Go SEA)

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