UCSF

ZINC24876803

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 28 Yes

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) 3.56 7.98 -13.33 1 7 0 84 397.866 3
Lo Low (pH 4.5-6) 3.56 8.42 -47.11 2 7 1 85 398.874 3

Activity (Go SEA)

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