UCSF

ZINC08060096

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 28 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) 1.47 4.96 -20.47 0 7 0 89 423.56 6
Lo Low (pH 4.5-6) 1.47 5.08 -52.92 1 7 1 91 424.568 6

Activity (Go SEA)

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