UCSF

ZINC43941145

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 No

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) -0.05 4.37 -43.18 3 6 1 68 293.391 5
Hi High (pH 8-9.5) -0.05 2.15 -8.34 2 6 0 66 292.383 5

Activity (Go SEA)

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