UCSF

ZINC22394871

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.23 7.2 -9.48 1 4 0 45 261.369 4
Mid Mid (pH 6-8) 3.23 7.58 -31.49 2 4 1 46 262.377 4

Activity (Go SEA)

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