UCSF

ZINC05175036

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 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) 3.93 10.16 -13.34 1 4 0 47 355.438 5
Mid Mid (pH 6-8) 3.93 10.61 -42.63 2 4 1 48 356.446 5

Activity (Go SEA)

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