UCSF

ZINC35346143

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 25 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) 1.96 8.34 -19.63 1 8 0 108 360.395 7
Hi High (pH 8-9.5) 1.77 7.05 -41.39 0 8 -1 114 359.387 7

Activity (Go SEA)

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