UCSF

ZINC39017204

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 10 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) 0.77 0.44 -115.3 6 2 2 55 144.262 2
Hi High (pH 8-9.5) 0.77 0.6 -41.24 5 2 1 54 143.254 2
Hi High (pH 8-9.5) 0.77 0.05 -39.86 5 2 1 54 143.254 2

Activity (Go SEA)

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