UCSF

ZINC20329277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 15 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) 0.97 5.38 -15.44 3 5 0 73 224.289 2
Mid Mid (pH 6-8) 0.97 5.19 -63.65 4 5 1 75 225.297 2

Activity (Go SEA)

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