UCSF

ZINC20225745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 0.48 1.45 -111.83 5 4 2 62 240.347 7
Mid Mid (pH 6-8) 0.48 -0.71 -38.95 4 4 1 60 239.339 7
Mid Mid (pH 6-8) 0.48 1.34 -25.88 4 4 1 60 239.339 7

Activity (Go SEA)

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