UCSF

ZINC39772167

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.23 6.01 -9.71 2 5 0 71 296.783 4
Hi High (pH 8-9.5) 2.23 5.83 -41.12 1 5 -1 69 295.775 4

Activity (Go SEA)

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