UCSF

ZINC04879758

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 15 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) -1.96 -3.56 -50.3 7 7 1 129 212.233 5
Mid Mid (pH 6-8) -1.96 -3.1 -103.7 8 7 2 130 213.241 5

Activity (Go SEA)

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