UCSF

ZINC43119257

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 24 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) -1.36 10.46 -37.61 1 4 1 47 364.512 5
Hi High (pH 8-9.5) -1.36 11.07 -51.85 0 4 0 49 363.504 5

Activity (Go SEA)

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