UCSF

ZINC05835556

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -0.42 5.37 -36.86 3 7 0 114 284.312 7
Mid Mid (pH 6-8) -0.42 5.05 -50.33 2 7 -1 113 283.304 7

Activity (Go SEA)

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