UCSF

ZINC23662406

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 19 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) -0.01 3.44 -13.73 0 7 0 74 257.301 2
Lo Low (pH 4.5-6) -0.01 5.83 -60.76 1 7 1 75 258.309 2

Activity (Go SEA)

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