UCSF

ZINC35500727

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 18 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) 1.27 2.8 -55.65 3 5 1 72 249.29 3
Hi High (pH 8-9.5) 1.73 -0.97 -51.38 1 5 -1 70 247.274 3
Hi High (pH 8-9.5) 1.27 1.67 -9.23 2 5 0 67 248.282 3
Mid Mid (pH 6-8) 1.73 0.23 -72.12 2 5 0 75 248.282 3

Activity (Go SEA)

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