UCSF

ZINC13426739

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 18 No

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) 2.19 1.4 -12.46 3 5 0 89 324.159 0
Mid Mid (pH 6-8) 2.19 2.85 -40.55 2 5 -1 86 323.151 0
Mid Mid (pH 6-8) 2.19 1.44 -34.05 2 5 -1 86 323.151 0

Activity (Go SEA)

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