UCSF

ZINC08720739

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 22 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) 0.55 -2.8 -14.13 0 6 0 68 320.418 5
Lo Low (pH 4.5-6) 0.55 -2.68 -43.1 1 6 1 69 321.426 5

Activity (Go SEA)

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