UCSF

ZINC06663068

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 29 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) 3.90 13 -12.79 0 5 0 49 386.499 5
Mid Mid (pH 6-8) 3.90 13.32 -32.54 1 5 1 51 387.507 5

Activity (Go SEA)

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