UCSF

ZINC59622836

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 25 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) 5.12 17.68 -37.71 0 2 1 17 354.643 20
Mid Mid (pH 6-8) 4.51 16.5 -29.46 0 2 0 23 353.635 19

Activity (Go SEA)

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