UCSF

ZINC43465124

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) 2.42 4.46 -12.26 1 3 0 47 214.648 4
Hi High (pH 8-9.5) 2.42 5.39 -52.89 0 3 -1 49 213.64 4

Activity (Go SEA)

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