UCSF

ZINC54111269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 2.77 7.55 -118.46 3 4 2 43 278.396 7
Hi High (pH 8-9.5) 2.77 3.9 -7.24 1 4 0 38 276.38 7
Mid Mid (pH 6-8) 2.77 5.11 -44.35 2 4 1 42 277.388 7
Mid Mid (pH 6-8) 2.77 6.18 -37.64 2 4 1 39 277.388 7

Activity (Go SEA)

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