UCSF

ZINC34617243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 9 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) 1.41 0.97 -6.46 1 2 0 33 121.139 1
Lo Low (pH 4.5-6) 1.41 1.43 -40.58 2 2 1 34 122.147 1

Activity (Go SEA)

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