UCSF

ZINC57223548

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.28 8.8 -16.22 1 7 0 78 324.388 4
Lo Low (pH 4.5-6) 1.28 9.26 -32.28 2 7 1 79 325.396 4

Activity (Go SEA)

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