UCSF

ZINC39310843

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 17 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) -0.70 0.41 -129.76 6 5 2 98 237.303 7
Hi High (pH 8-9.5) -0.70 0.04 -48.8 5 5 1 96 236.295 7
Hi High (pH 8-9.5) -0.70 -1.38 -11.7 4 5 0 91 235.287 7

Activity (Go SEA)

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