UCSF

ZINC07950319

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 25 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) 3.53 9.14 -12.07 0 6 0 78 338.363 7
Lo Low (pH 4.5-6) 3.53 9.41 -43.33 1 6 1 80 339.371 7

Activity (Go SEA)

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