UCSF

ZINC39135717

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 14 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) -2.14 3.92 -103.52 1 6 -2 109 201.178 6
Lo Low (pH 4.5-6) -2.14 1.94 -51.61 2 6 -1 107 202.186 6

Activity (Go SEA)

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