UCSF

ZINC31962299

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 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) 2.27 6.66 -50.48 4 5 1 73 339.463 5
Mid Mid (pH 6-8) 2.27 6.34 -13.29 3 5 0 71 338.455 5

Activity (Go SEA)

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