UCSF

ZINC43258493

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 15 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 4.05 -37.38 3 2 1 31 290.25 3
Hi High (pH 8-9.5) 2.37 5.97 -33.62 3 2 1 30 290.25 3
Hi High (pH 8-9.5) 2.37 3.72 -1.93 2 2 0 29 289.242 3
Lo Low (pH 4.5-6) 2.37 6.26 -114.26 4 2 2 32 291.258 3

Activity (Go SEA)

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