UCSF

ZINC47263239

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 20 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) 2.14 5.07 -47.55 3 5 1 63 298.794 6
Hi High (pH 8-9.5) 2.14 2.85 -13.85 2 5 0 61 297.786 6

Activity (Go SEA)

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