UCSF

ZINC52278139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.39 5.24 -44.35 3 3 1 46 291.198 6
Hi High (pH 8-9.5) 3.39 3.89 -6.19 2 3 0 41 290.19 6

Activity (Go SEA)

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