UCSF

ZINC05380344

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 19 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) -2.79 -6.15 -57.89 6 8 1 124 271.297 5
Hi High (pH 8-9.5) -2.79 -6.53 -15.98 5 8 0 123 270.289 5

Activity (Go SEA)

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