UCSF

ZINC42906501

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) -0.09 0.4 -120.73 6 4 2 73 240.347 7
Mid Mid (pH 6-8) -0.09 -0.72 -44.96 5 4 1 71 239.339 7
Mid Mid (pH 6-8) -0.09 -0.49 -29.45 5 4 1 71 239.339 7

Activity (Go SEA)

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