UCSF

ZINC43803051

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 0.18 0.45 -44.2 2 4 1 42 228.341 4
Hi High (pH 8-9.5) 0.18 -0.92 -7.32 1 4 0 37 227.333 4
Mid Mid (pH 6-8) 0.18 2.86 -100.41 3 4 2 43 229.349 4

Activity (Go SEA)

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