UCSF

ZINC33687693

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 30 No

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) 1.05 5.3 -18.51 2 8 0 106 402.41 4
Lo Low (pH 4.5-6) 1.05 5.48 -55.14 3 8 1 107 403.418 4
Lo Low (pH 4.5-6) 1.05 5.75 -46.82 3 8 1 107 403.418 4

Activity (Go SEA)

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