UCSF

ZINC05167534

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 13 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) 1.78 2.59 -9.44 1 3 0 47 200.621 2
Hi High (pH 8-9.5) 1.78 3.52 -44.56 0 3 -1 49 199.613 2

Activity (Go SEA)

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