UCSF

ZINC39353361

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 25 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) 1.80 8.57 -54.43 2 7 1 77 346.455 6
Hi High (pH 8-9.5) 1.80 6.78 -11.6 1 7 0 76 345.447 6

Activity (Go SEA)

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