UCSF

ZINC60214032

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 22 No

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) -1.54 1.45 -19.02 3 10 0 150 308.25 5
Hi High (pH 8-9.5) -0.63 -0.72 -46.03 2 10 -1 153 307.242 5
Hi High (pH 8-9.5) -0.63 -0.54 -44.31 2 10 -1 153 307.242 5

Activity (Go SEA)

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