UCSF

ZINC43967561

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 2.37 8.22 -94.47 3 3 2 24 275.44 5
Hi High (pH 8-9.5) 2.37 5.81 -36.49 2 3 1 23 274.432 5
Hi High (pH 8-9.5) 2.37 5.12 -1.75 1 3 0 19 273.424 5
Mid Mid (pH 6-8) 2.37 6.81 -36.96 2 3 1 20 274.432 5
Mid Mid (pH 6-8) 2.37 7.67 -123.65 3 3 2 24 275.44 5

Activity (Go SEA)

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