UCSF

ZINC39260111

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 24 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) 3.27 10.63 -34.09 2 4 1 48 320.416 5
Mid Mid (pH 6-8) 3.27 10.14 -15.6 1 4 0 46 319.408 5

Activity (Go SEA)

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