UCSF

ZINC39549539

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 29 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) 3.31 6.23 -8.23 2 6 0 71 403.567 9
Mid Mid (pH 6-8) 3.31 8.26 -45 3 6 1 72 404.575 9

Activity (Go SEA)

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