UCSF

ZINC58268555

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 28 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) 3.40 12.27 -58.51 1 5 1 62 372.448 4
Mid Mid (pH 6-8) 3.40 10.05 -13.54 0 5 0 60 371.44 4

Activity (Go SEA)

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