UCSF

ZINC47470127

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2010 18 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) -0.20 3.88 -12.39 1 5 0 62 247.298 5
Lo Low (pH 4.5-6) -0.20 4.35 -37.27 2 5 1 64 248.306 5

Activity (Go SEA)

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