UCSF

ZINC17086528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2008 26 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) 2.04 2.57 -49.54 1 7 -1 104 351.338 3
Lo Low (pH 4.5-6) 1.59 5.25 -12.39 2 7 0 101 352.346 3

Activity (Go SEA)

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