UCSF

ZINC21949851

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 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) 1.90 6.47 -99.94 3 2 2 21 200.37 4
Hi High (pH 8-9.5) 1.90 5.1 -28.54 2 2 1 16 199.362 4
Hi High (pH 8-9.5) 1.90 4.65 -36.62 2 2 1 20 199.362 4

Activity (Go SEA)

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