UCSF

ZINC09680416

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 16 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) -0.55 1.74 -33.09 4 5 0 88 217.228 1
Lo Low (pH 4.5-6) 0.75 -0.14 -39.45 5 5 1 89 218.236 1

Activity (Go SEA)

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