UCSF

ZINC43426730

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.95 3.67 -6.19 0 3 0 25 272.801 3
Lo Low (pH 4.5-6) 1.95 5.89 -34.43 1 3 1 27 273.809 3

Activity (Go SEA)

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