UCSF

ZINC05739860

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 21 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) 2.69 5.56 -20.55 2 5 0 86 346.184 2
Hi High (pH 8-9.5) 3.15 2.85 -62.38 1 5 -1 89 345.176 2

Activity (Go SEA)

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