UCSF

ZINC33715678

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 29 No

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) 4.85 12.98 -10.38 1 4 0 37 446.403 8
Lo Low (pH 4.5-6) 4.85 13.45 -40.09 2 4 1 39 447.411 8

Activity (Go SEA)

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