UCSF

ZINC40117477

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 23 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) 2.44 2.79 -51.14 2 5 -1 89 373.182 3
Lo Low (pH 4.5-6) 2.44 2.02 -11.92 3 5 0 87 374.19 3

Activity (Go SEA)

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