UCSF

ZINC26045850

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 20 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) 1.33 6.53 -10.96 0 4 0 46 287.75 2
Lo Low (pH 4.5-6) 1.33 6.97 -39.07 1 4 1 47 288.758 2

Activity (Go SEA)

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