UCSF

ZINC33770992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 No

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) 2.76 7.78 -33.45 4 12 1 151 454.515 8
Hi High (pH 8-9.5) 2.76 5.52 -9.98 3 12 0 150 453.507 8

Activity (Go SEA)

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