UCSF

ZINC36264083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 15 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) -0.60 -3.69 -52.8 5 6 1 107 250.325 3
Hi High (pH 8-9.5) -0.14 -6.26 -42.68 3 6 -1 108 248.309 3
Mid Mid (pH 6-8) -0.14 -5.94 -68.6 4 6 0 110 249.317 3
Mid Mid (pH 6-8) -0.60 -4.02 -11.97 4 6 0 105 249.317 3

Activity (Go SEA)

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