UCSF

ZINC05843652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 26 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) 3.33 5.92 -52.16 1 6 -1 90 406.896 5
Mid Mid (pH 6-8) 3.33 5.55 -17.98 2 6 0 88 407.904 5

Activity (Go SEA)

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