UCSF

ZINC43706641

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 32 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) -5.64 -16.65 -286.23 19 14 4 275 471.552 5
Hi High (pH 8-9.5) -5.64 -17.38 -119.06 17 14 2 271 469.536 5
Hi High (pH 8-9.5) -5.64 -17.39 -106.7 17 14 2 271 469.536 5
Mid Mid (pH 6-8) -5.64 -16.23 -422.29 20 14 5 276 472.56 5

Activity (Go SEA)

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