UCSF

ZINC47959104

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 22 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) 2.44 7.57 -39.36 2 5 1 54 324.832 6
Hi High (pH 8-9.5) 2.44 5.44 -8.35 1 5 0 53 323.824 6

Activity (Go SEA)

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