UCSF

ZINC34971240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 39 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) 5.41 13.34 -13.73 1 8 0 80 531.653 13
Mid Mid (pH 6-8) 5.41 15.6 -55.83 2 8 1 82 532.661 13

Activity (Go SEA)

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