UCSF

ZINC05767994

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 25 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) 5.61 10.64 -40.33 2 2 1 25 340.531 4
Hi High (pH 8-9.5) 5.61 8.7 -3.02 1 2 0 23 339.523 4

Activity (Go SEA)

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