UCSF

ZINC43896868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 2.72 8.32 -93.66 3 3 2 24 277.456 5
Hi High (pH 8-9.5) 2.72 6.1 -35.66 2 3 1 23 276.448 5
Mid Mid (pH 6-8) 2.72 7.89 -121.77 3 3 2 24 277.456 5
Mid Mid (pH 6-8) 2.72 6.44 -33.04 2 3 1 20 276.448 5

Activity (Go SEA)

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