UCSF

ZINC25463367

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 2.59 5.58 -50.23 4 7 1 103 418.539 6
Mid Mid (pH 6-8) 2.59 3.36 -19.57 3 7 0 102 417.531 6

Activity (Go SEA)

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