UCSF

ZINC51124623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 23 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) 1.92 4.04 -11.22 1 5 0 53 320.433 5
Lo Low (pH 4.5-6) 1.92 6.23 -44.62 2 5 1 54 321.441 5

Activity (Go SEA)

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