UCSF

ZINC43896949

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) 2.68 7.97 -94.83 3 3 2 24 277.456 5
Hi High (pH 8-9.5) 2.68 5.75 -35.75 2 3 1 23 276.448 5
Hi High (pH 8-9.5) 2.68 4.25 -2.24 1 3 0 19 275.44 5
Mid Mid (pH 6-8) 2.68 6.66 -32.73 2 3 1 20 276.448 5
Mid Mid (pH 6-8) 2.68 7.6 -121.95 3 3 2 24 277.456 5

Activity (Go SEA)

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