UCSF

ZINC43252717

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.44 4.83 -46.27 3 3 1 40 317.906 5
Hi High (pH 8-9.5) 3.44 4.5 -2.73 2 3 0 38 316.898 5
Lo Low (pH 4.5-6) 3.44 6.31 -116.73 4 3 2 41 318.914 5

Activity (Go SEA)

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