UCSF

ZINC47991946

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.71 1.79 -38.94 1 6 -1 94 377.826 5
Mid Mid (pH 6-8) 2.71 1.85 -107.33 0 6 -2 96 376.818 5
Mid Mid (pH 6-8) 2.71 1.7 -37.41 1 6 -1 94 377.826 5
Lo Low (pH 4.5-6) 2.71 1.72 -13.29 2 6 0 92 378.834 5

Activity (Go SEA)

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