UCSF

ZINC43252436

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 15 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) 0.16 -1.04 -49.34 5 4 1 74 248.759 5
Hi High (pH 8-9.5) 0.16 -1.46 -6.77 4 4 0 72 247.751 5

Activity (Go SEA)

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