UCSF

ZINC06658533

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 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) 2.55 6.27 -20.18 2 4 0 58 273.242 2
Lo Low (pH 4.5-6) 2.55 6.76 -48.77 3 4 1 59 274.25 2

Activity (Go SEA)

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