UCSF

ZINC48251593

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 20 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) 0.28 5.54 -40.47 1 6 1 60 279.364 4
Hi High (pH 8-9.5) 0.28 3.61 -9.39 0 6 0 59 278.356 4

Activity (Go SEA)

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