UCSF

ZINC13756367

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 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) 5.41 10.45 -32.87 2 2 1 25 338.515 3
Mid Mid (pH 6-8) 5.41 8.47 -2 1 2 0 23 337.507 3

Activity (Go SEA)

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