UCSF

ZINC11535626

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2008 13 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) 1.26 2.71 -6.63 1 3 0 45 176.219 1
Lo Low (pH 4.5-6) 1.26 2.98 -33.89 2 3 1 47 177.227 1

Activity (Go SEA)

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