UCSF

ZINC39044336

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 1.44 10.13 -50.27 0 3 -1 49 269.32 6
Lo Low (pH 4.5-6) 1.44 8.13 -9.05 1 3 0 47 270.328 6

Activity (Go SEA)

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