UCSF

ZINC33740669

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 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) 7.65 16.89 -13.33 0 4 0 40 479.63 5
Lo Low (pH 4.5-6) 7.65 17.35 -35.12 1 4 1 41 480.638 5

Activity (Go SEA)

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