UCSF

ZINC16598652

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 26 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) 3.17 7.91 -69.14 2 6 0 61 357.43 6
Mid Mid (pH 6-8) 3.17 7.83 -13.37 1 6 0 60 356.422 6

Activity (Go SEA)

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