UCSF

ZINC39270815

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 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) 2.92 5.75 -9.77 3 4 0 68 224.267 1
Lo Low (pH 4.5-6) 2.92 6.17 -27.15 4 4 1 69 225.275 1
Lo Low (pH 4.5-6) 2.92 6.17 -30.13 4 4 1 69 225.275 1

Activity (Go SEA)

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