UCSF

ZINC34859291

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 2.90 8.97 -26.72 1 9 0 103 484.578 11
Hi High (pH 8-9.5) 3.08 7.77 -52.49 0 9 -1 109 483.57 11

Activity (Go SEA)

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