UCSF

ZINC41663012

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.98 10.56 -10.91 0 5 0 46 446.934 4
Lo Low (pH 4.5-6) 4.98 11.32 -51.78 1 5 0 47 447.942 4

Activity (Go SEA)

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