UCSF

ZINC62127571

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 19 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) -0.94 1.77 -12.83 0 6 0 53 269.345 3
Mid Mid (pH 6-8) -0.94 4.08 -48.2 1 6 1 54 270.353 3

Activity (Go SEA)

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