UCSF

ZINC52242297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 25 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) 1.39 5.9 -11.5 1 6 0 66 349.475 6
Mid Mid (pH 6-8) 1.39 8.08 -44.15 2 6 1 67 350.483 6

Activity (Go SEA)

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