UCSF

ZINC39307554

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 3.64 6.08 -15.34 2 7 0 96 399.491 4
Hi High (pH 8-9.5) 3.82 3.42 -48.25 1 7 -1 102 398.483 4

Activity (Go SEA)

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