UCSF

ZINC06100377

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 25 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) 2.36 2.32 -13.44 1 7 0 84 355.423 6
Lo Low (pH 4.5-6) 2.36 3.07 -79.54 2 7 0 85 356.431 6

Activity (Go SEA)

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