UCSF

ZINC23282245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 20 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) 3.93 11.34 -34.31 1 2 1 14 270.396 7
Mid Mid (pH 6-8) 3.93 8.88 -4.16 0 2 0 12 269.388 7

Activity (Go SEA)

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