UCSF

ZINC48545964

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 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) 1.58 6.32 -39.94 2 5 1 54 296.416 6
Hi High (pH 8-9.5) 1.58 3.98 -9.11 1 5 0 53 295.408 6

Activity (Go SEA)

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