UCSF

ZINC39768004

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 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) 5.19 11.66 -19.08 1 7 0 86 485.466 8
Hi High (pH 8-9.5) 5.38 10.46 -51.95 0 7 -1 92 484.458 8

Activity (Go SEA)

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