UCSF

ZINC05782926

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 30 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) 7.44 11.4 -16.06 2 5 0 74 415.88 4
Hi High (pH 8-9.5) 7.44 10.98 -57.86 1 5 -1 77 414.872 4
Hi High (pH 8-9.5) 7.44 12.4 -65.39 1 5 -1 77 414.872 4

Activity (Go SEA)

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