UCSF

ZINC39912687

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 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) 4.17 8.31 -16.65 2 9 0 106 509.603 10
Hi High (pH 8-9.5) 3.94 8.34 -64.85 0 9 -1 105 508.595 10
Hi High (pH 8-9.5) 3.94 8.58 -51.06 0 9 -1 105 508.595 10
Hi High (pH 8-9.5) 4.17 9.63 -45.74 1 9 -1 109 508.595 10

Activity (Go SEA)

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