UCSF

ZINC41593910

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) -0.50 0.46 -48.62 0 7 -1 89 277.304 2
Lo Low (pH 4.5-6) -0.96 2.31 -15.54 1 7 0 86 278.312 2

Activity (Go SEA)

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