UCSF

ZINC06346548

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 30 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) 4.28 11.72 -12.84 1 6 0 68 404.466 9
Lo Low (pH 4.5-6) 4.28 12.48 -28.4 2 6 0 69 405.474 9

Activity (Go SEA)

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