UCSF

ZINC39353344

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) 0.78 8.18 -52.84 2 7 1 77 343.455 5
Hi High (pH 8-9.5) 0.78 6.68 -11.3 1 7 0 76 342.447 5

Activity (Go SEA)

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