UCSF

ZINC43254070

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) 3.63 5.72 -42.08 3 2 1 31 289.896 6
Hi High (pH 8-9.5) 3.63 6.65 -31.3 3 2 1 30 289.896 6
Hi High (pH 8-9.5) 3.63 5.27 -1.37 2 2 0 29 288.888 6
Lo Low (pH 4.5-6) 3.63 7.14 -109.3 4 2 2 32 290.904 6

Activity (Go SEA)

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