UCSF

ZINC40018842

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 37 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) 4.83 13.25 -78.42 1 8 0 96 512.647 16
Lo Low (pH 4.5-6) 4.83 12.36 -51.27 2 8 1 94 513.655 16

Activity (Go SEA)

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