UCSF

ZINC09241757

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.73 -0.68 -15.07 0 4 0 46 448.762 4
Lo Low (pH 4.5-6) 5.73 -0.56 -53.62 1 4 1 47 449.77 4

Activity (Go SEA)

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