UCSF

ZINC43285502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 3.06 5.37 -44.05 3 2 1 31 346.339 5
Hi High (pH 8-9.5) 3.06 5.07 -2.81 2 2 0 29 345.331 5
Mid Mid (pH 6-8) 3.06 7.38 -36.28 3 2 1 30 346.339 5
Mid Mid (pH 6-8) 3.06 7.7 -117.94 4 2 2 32 347.347 5

Activity (Go SEA)

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