UCSF

ZINC05160177

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 14 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) 2.90 5.05 -23.55 3 2 1 40 187.266 0
Hi High (pH 8-9.5) 2.90 4.67 -8.41 2 2 0 39 186.258 0

Activity (Go SEA)

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