UCSF

ZINC38789217

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 30 Yes

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) 9.24 20.72 -90.65 0 4 -2 80 424.666 25
Lo Low (pH 4.5-6) 9.24 18.75 -48.11 1 4 -1 77 425.674 25

Activity (Go SEA)

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