UCSF

ZINC43253076

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.64 5.94 -41.67 3 2 1 31 287.88 5
Hi High (pH 8-9.5) 3.64 5.65 -1.02 2 2 0 29 286.872 5
Mid Mid (pH 6-8) 3.64 7.21 -32.03 3 2 1 30 287.88 5
Mid Mid (pH 6-8) 3.64 7.51 -111.56 4 2 2 32 288.888 5

Activity (Go SEA)

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