UCSF

ZINC39965268

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 3.48 8.24 -39.57 2 5 1 50 379.937 5
Mid Mid (pH 6-8) 3.48 8.2 -46.24 2 5 1 50 379.937 5
Mid Mid (pH 6-8) 3.30 7.38 -31.91 1 5 0 56 378.929 5
Mid Mid (pH 6-8) 3.48 6 -9.68 1 5 0 48 378.929 5

Activity (Go SEA)

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