UCSF

ZINC25502602

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 3.42 10.95 -13.24 2 5 0 71 324.359 4
Mid Mid (pH 6-8) 3.42 10.85 -13.72 3 5 0 72 325.367 4

Activity (Go SEA)

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