UCSF

ZINC20226573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 22 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) 0.78 0.39 -49.83 4 5 1 64 308.446 7
Mid Mid (pH 6-8) 0.78 2.77 -119.71 5 5 2 65 309.454 7
Mid Mid (pH 6-8) 0.78 2.2 -126.26 5 5 2 65 309.454 7

Activity (Go SEA)

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