UCSF

ZINC04508936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 30 Yes

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) 5.24 10.77 -14.57 2 6 0 84 428.602 9
Hi High (pH 8-9.5) 5.43 9.65 -44.92 1 6 -1 90 427.594 9

Activity (Go SEA)

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