UCSF

ZINC54552402

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 20 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) 3.76 9.85 -54.78 0 4 -1 53 276.356 5
Lo Low (pH 4.5-6) 3.76 9.69 -34.28 1 4 0 54 277.364 5

Activity (Go SEA)

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