UCSF

ZINC22122842

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) -0.51 5.25 -31.11 1 4 0 54 215.293 3
Mid Mid (pH 6-8) -0.51 3.53 -47.62 0 4 -1 53 214.285 3

Activity (Go SEA)

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