UCSF

ZINC48606639

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 18 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) 3.41 6.66 -12.39 1 3 0 46 276.748 1
Hi High (pH 8-9.5) 3.86 4.59 -49.49 0 3 -1 49 275.74 1

Activity (Go SEA)

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