UCSF

ZINC43252371

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 3.58 5.13 -41.36 3 2 1 31 275.869 6
Hi High (pH 8-9.5) 3.58 4.85 -1.44 2 2 0 29 274.861 6
Mid Mid (pH 6-8) 3.58 6.37 -32.9 3 2 1 30 275.869 6
Mid Mid (pH 6-8) 3.58 6.63 -110.59 4 2 2 32 276.877 6

Activity (Go SEA)

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