UCSF

ZINC38241169

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) 1.76 8.35 -38.65 4 8 1 95 339.379 2
Mid Mid (pH 6-8) 1.89 8.44 -94.3 5 8 2 94 340.387 2
Mid Mid (pH 6-8) 1.76 7.85 -20.71 3 8 0 94 338.371 2
Lo Low (pH 4.5-6) 1.89 8.49 -30.14 4 8 1 93 339.379 2

Activity (Go SEA)

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