UCSF

ZINC39245949

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 16 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) 0.66 7.48 -72.15 0 4 -1 62 216.216 1
Mid Mid (pH 6-8) -1.78 5 -43.58 1 4 0 64 217.224 1

Activity (Go SEA)

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