UCSF

ZINC53149591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 No

Download: MOL2 SDF SMILES Flexibase

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) 1.65 5.27 -65.49 2 2 1 34 276.784 3
Hi High (pH 8-9.5) 1.65 4.07 -12.98 1 2 0 29 275.776 3

Activity (Go SEA)

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