UCSF

ZINC23696497

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 33 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) 3.56 10.76 -20.52 0 5 0 58 470.541 5
Lo Low (pH 4.5-6) 3.56 12.34 -71.22 1 5 1 59 471.549 5

Activity (Go SEA)

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