UCSF

ZINC60239358

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 10 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.05 2.81 -37.44 2 2 1 38 151.214 0
Mid Mid (pH 6-8) 1.05 2.34 -9.06 1 2 0 37 150.206 0

Activity (Go SEA)

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