UCSF

ZINC04796353

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 27 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) 5.27 10.76 -15.37 2 4 0 54 377.513 8
Lo Low (pH 4.5-6) 5.27 11.1 -35.75 3 4 1 55 378.521 8

Activity (Go SEA)

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