UCSF

ZINC06692295

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 14 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) 2.65 8.49 -48.12 0 2 -1 40 189.234 5
Lo Low (pH 4.5-6) 2.65 6.43 -5.75 1 2 0 37 190.242 5

Activity (Go SEA)

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