UCSF

ZINC39281106

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.66 7.44 -12.63 1 5 0 68 265.7 5
Hi High (pH 8-9.5) 2.66 7.1 -48.74 0 5 -1 66 264.692 5

Activity (Go SEA)

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