UCSF

ZINC34679022

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 25 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) 1.60 7.26 -18.52 1 6 0 72 329.363 4
Lo Low (pH 4.5-6) 1.60 7.66 -45.01 2 6 1 73 330.371 4

Activity (Go SEA)

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