UCSF

ZINC19768981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 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) -0.96 1.67 -63.29 4 6 1 86 278.332 3
Hi High (pH 8-9.5) -0.96 1.34 -14.84 3 6 0 85 277.324 3

Activity (Go SEA)

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