UCSF

ZINC57915981

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 17 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) 3.09 7.29 -35.07 1 2 1 8 247.353 4
Hi High (pH 8-9.5) 3.09 5.45 -3.57 0 2 0 6 246.345 4

Activity (Go SEA)

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