UCSF

ZINC34864449

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 3.42 9.08 -28.65 1 7 0 84 442.928 5
Hi High (pH 8-9.5) 3.61 7.07 -63.79 0 7 -1 91 441.92 5

Activity (Go SEA)

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