UCSF

ZINC56925647

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 29 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) 2.17 8.53 -47.7 2 7 1 80 416.571 5
Hi High (pH 8-9.5) 2.17 6.76 -13.54 1 7 0 78 415.563 5

Activity (Go SEA)

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