UCSF

ZINC43252312

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) 3.42 5.12 -42.61 3 2 1 31 275.869 6
Hi High (pH 8-9.5) 3.42 4.96 -0.75 2 2 0 29 274.861 6
Mid Mid (pH 6-8) 3.42 6.91 -31.63 3 2 1 30 275.869 6
Mid Mid (pH 6-8) 3.42 6.76 -108.35 4 2 2 32 276.877 6

Activity (Go SEA)

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