UCSF

ZINC22922746

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 0.82 1.9 -85.89 2 8 0 103 357.432 7
Mid Mid (pH 6-8) 0.82 1.78 -86.79 2 8 0 103 357.432 7
Mid Mid (pH 6-8) 0.82 -0.57 -56.98 1 8 -1 102 356.424 7

Activity (Go SEA)

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