UCSF

ZINC58202903

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 25 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) 2.61 10.31 -35.19 1 5 1 51 339.463 5
Hi High (pH 8-9.5) 2.61 8.21 -9.73 0 5 0 49 338.455 5

Activity (Go SEA)

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