UCSF

ZINC48438933

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 19 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) 2.38 4.33 -13.36 2 5 0 75 260.293 3
Mid Mid (pH 6-8) 2.84 1.68 -58.37 1 5 -1 78 259.285 3

Activity (Go SEA)

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