UCSF

ZINC60090797

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 11 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) 1.45 5.94 -39.83 1 2 1 22 156.249 2
Mid Mid (pH 6-8) 1.45 3.53 -4.45 0 2 0 20 155.241 2

Activity (Go SEA)

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