UCSF

ZINC43912915

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 1.86 4.89 -26.19 2 4 1 38 259.414 10
Hi High (pH 8-9.5) 1.86 3.76 -1.97 1 4 0 34 258.406 10
Mid Mid (pH 6-8) 1.86 6.33 -25.5 2 4 1 35 259.414 10

Activity (Go SEA)

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