UCSF

ZINC39228289

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 6.69 12.43 -7.78 1 4 0 37 484.905 4
Mid Mid (pH 6-8) 6.69 13.37 -32.03 2 4 1 39 485.913 4

Activity (Go SEA)

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