UCSF

ZINC04796041

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 25 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) 4.84 9.5 -14.55 2 4 0 54 414.328 6
Lo Low (pH 4.5-6) 4.84 9.84 -29.35 3 4 1 55 415.336 6

Activity (Go SEA)

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