UCSF

ZINC54553617

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 17 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) 2.58 8.15 -75.77 1 4 0 54 237.299 6
Hi High (pH 8-9.5) 2.58 5.67 -48.22 0 4 -1 53 236.291 6

Activity (Go SEA)

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