UCSF

ZINC04796763

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 29 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) 5.77 12.83 -11.91 1 4 0 45 405.567 5
Lo Low (pH 4.5-6) 5.77 13.18 -30.34 2 4 1 46 406.575 5

Activity (Go SEA)

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