UCSF

ZINC55024905

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 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) 2.94 9.7 -49.75 2 4 1 46 336.456 6
Hi High (pH 8-9.5) 2.94 7.48 -14.39 1 4 0 45 335.448 6

Activity (Go SEA)

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