UCSF

ZINC04408197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 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) 5.29 12.38 -12.41 1 4 0 45 391.54 6
Lo Low (pH 4.5-6) 5.29 12.73 -30.56 2 4 1 46 392.548 6

Activity (Go SEA)

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