UCSF

ZINC32146889

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 3.60 7.56 -52.83 2 4 -1 79 289.38 5
Lo Low (pH 4.5-6) 3.60 7.95 -60.07 3 4 0 80 290.388 5

Activity (Go SEA)

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