UCSF

ZINC55053370

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 17 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) 2.76 9.48 -37.55 1 2 1 18 230.331 4
Hi High (pH 8-9.5) 2.76 7.16 -4.34 0 2 0 16 229.323 4

Activity (Go SEA)

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