UCSF

ZINC65410758

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 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) 2.62 10.73 -49.35 1 5 1 43 339.463 2
Hi High (pH 8-9.5) 2.62 8.5 -13.11 0 5 0 41 338.455 2

Activity (Go SEA)

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