UCSF

ZINC28653032

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 50 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) 3.13 9.81 -48.86 9 10 1 166 675.854 18
Mid Mid (pH 6-8) 3.13 10.13 -112.98 10 10 2 168 676.862 18

Activity (Go SEA)

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