UCSF

ZINC05226291

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 23 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) 4.54 7.49 -10.14 1 5 0 65 334.755 4
Hi High (pH 8-9.5) 4.54 8.49 -54.66 0 5 -1 68 333.747 4

Activity (Go SEA)

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