UCSF

ZINC33754396

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 24 No

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) 4.37 7.78 -46 3 3 1 45 344.862 3
Mid Mid (pH 6-8) 4.37 5.57 -8.76 2 3 0 44 343.854 3

Activity (Go SEA)

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