UCSF

ZINC52213945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.87 9.8 -38.18 1 3 1 25 338.269 3
Hi High (pH 8-9.5) 2.87 8.05 -10.81 0 3 0 24 337.261 3

Activity (Go SEA)

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