UCSF

ZINC54722302

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 16 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) 2.06 7.25 -36.73 2 3 1 34 224.372 7
Hi High (pH 8-9.5) 2.06 5.94 -4.62 1 3 0 30 223.364 7

Activity (Go SEA)

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