UCSF

ZINC37372169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 0.99 4.08 -52.89 3 5 1 76 277.344 6
Hi High (pH 8-9.5) 0.99 2.73 -13.25 2 5 0 71 276.336 6

Activity (Go SEA)

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