UCSF

ZINC63582582

Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2011 20 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) 2.98 10.06 -38.16 1 3 1 25 295.834 4
Hi High (pH 8-9.5) 2.98 7.83 -8.9 0 3 0 24 294.826 4

Activity (Go SEA)

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