UCSF

ZINC57920869

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 27 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) 2.87 7.63 -42.14 3 6 1 72 376.521 8
Hi High (pH 8-9.5) 2.87 5.41 -10.2 2 6 0 71 375.513 8

Activity (Go SEA)

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