UCSF

ZINC33827448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 23 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) 1.46 3.91 -8.34 1 5 0 49 313.401 5
Mid Mid (pH 6-8) 1.46 6.15 -44.24 2 5 1 50 314.409 5
Lo Low (pH 4.5-6) 1.46 6.61 -97.24 3 5 2 51 315.417 5
Lo Low (pH 4.5-6) 1.46 4.37 -38.77 2 5 1 50 314.409 5

Activity (Go SEA)

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