UCSF

ZINC19677057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 18 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) -2.31 0.87 -57.81 3 6 1 81 249.294 2
Hi High (pH 8-9.5) -2.31 0.49 -14.88 2 6 0 80 248.286 2

Activity (Go SEA)

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