UCSF

ZINC43460854

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) -1.19 -0.22 -55.2 5 5 1 89 272.126 2
Hi High (pH 8-9.5) -1.19 -1.66 -39.25 3 5 -1 86 270.11 2
Hi High (pH 8-9.5) -1.19 -0.51 -7.75 4 5 0 88 271.118 2
Mid Mid (pH 6-8) -1.19 -1.34 -41.21 4 5 0 88 271.118 2

Activity (Go SEA)

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