UCSF

ZINC38600466

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 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) 3.75 2.25 -54.25 2 6 -1 109 417.57 4
Lo Low (pH 4.5-6) 3.75 0.27 -14.25 3 6 0 106 418.578 4

Activity (Go SEA)

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