UCSF

ZINC39681157

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 30 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) -0.33 5.68 -61.55 3 8 1 105 412.514 4
Lo Low (pH 4.5-6) -0.33 6.14 -110.91 4 8 2 106 413.522 4

Activity (Go SEA)

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