UCSF

ZINC21113412

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 21 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) 3.31 6.91 -9.43 2 5 0 71 324.837 5
Mid Mid (pH 6-8) 3.31 6.96 -11.69 2 5 0 71 324.837 5

Activity (Go SEA)

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