UCSF

ZINC40184047

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.61 14.31 -13.5 0 6 0 60 470.617 10
Mid Mid (pH 6-8) 4.61 15.15 -38 1 6 1 62 471.625 10

Activity (Go SEA)

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