UCSF

ZINC35553139

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 31 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) 4.51 13.02 -44.98 1 5 1 37 434.633 6
Mid Mid (pH 6-8) 4.51 10.78 -6.23 0 5 0 35 433.625 6

Activity (Go SEA)

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