UCSF

ZINC26055171

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.63 8.19 -11.77 1 4 0 45 313.376 4
Lo Low (pH 4.5-6) 2.63 8.45 -41.64 2 4 1 46 314.384 4

Activity (Go SEA)

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