UCSF

ZINC47265989

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 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) -0.60 1.04 -12.94 0 6 0 68 260.363 4
Lo Low (pH 4.5-6) -0.60 2.94 -49.05 1 6 1 69 261.371 4

Activity (Go SEA)

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