UCSF

ZINC48596465

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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) 3.37 8.64 -45.36 2 4 1 46 294.444 4
Mid Mid (pH 6-8) 3.19 8.02 -38.31 1 4 0 53 293.436 4

Activity (Go SEA)

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