UCSF

ZINC35163939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 37 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) 3.33 8.22 -57.01 1 8 -1 108 506.506 9
Lo Low (pH 4.5-6) 3.33 7.47 -18.36 2 8 0 106 507.514 9

Activity (Go SEA)

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