UCSF

ZINC04976674

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 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) 5.76 11.21 -13.43 2 4 0 54 391.54 7
Lo Low (pH 4.5-6) 5.76 11.56 -32.68 3 4 1 55 392.548 7

Activity (Go SEA)

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