UCSF

ZINC07845061

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2006 21 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) 3.60 8.22 -13.78 1 4 0 45 303.431 5
Lo Low (pH 4.5-6) 3.60 8.61 -30.34 2 4 1 46 304.439 5

Activity (Go SEA)

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