UCSF

ZINC12545497

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 22 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) 1.62 5.11 -55.32 0 6 -1 90 319.362 6
Lo Low (pH 4.5-6) 1.62 5.39 -72.26 1 6 0 92 320.37 6

Activity (Go SEA)

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