UCSF

ZINC06688265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 22 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) 1.92 6.69 -45.29 2 5 1 55 325.454 7
Hi High (pH 8-9.5) 1.92 5.25 -8.74 1 5 0 51 324.446 7

Activity (Go SEA)

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