UCSF

ZINC38587982

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.49 8.72 -49.2 3 5 1 49 339.463 5
Mid Mid (pH 6-8) 3.49 6.52 -11.25 2 5 0 48 338.455 5

Activity (Go SEA)

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