UCSF

ZINC43252622

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) 3.82 5.93 -42.67 3 2 1 31 289.896 6
Hi High (pH 8-9.5) 3.82 5.72 -1.56 2 2 0 29 288.888 6
Mid Mid (pH 6-8) 3.82 6.93 -33.27 3 2 1 30 289.896 6
Mid Mid (pH 6-8) 3.82 7.41 -112.54 4 2 2 32 290.904 6

Activity (Go SEA)

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