UCSF

ZINC28228552

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 24 Yes

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) -1.43 2.69 -107.33 3 7 0 102 333.319 2
Hi High (pH 8-9.5) -1.43 2.38 -64.87 2 7 -1 101 332.311 2

Activity (Go SEA)

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