UCSF

ZINC34786279

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 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) 1.72 5.78 -41.2 2 4 1 37 280.367 5
Hi High (pH 8-9.5) 1.72 3.41 -12.09 1 4 0 36 279.359 5
Hi High (pH 8-9.5) 1.72 5.66 -43.65 2 4 1 37 280.367 5

Activity (Go SEA)

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