UCSF

ZINC25044079

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 35 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) 4.50 9.97 -16.45 1 6 0 60 474.601 10
Lo Low (pH 4.5-6) 4.50 12.26 -61.27 2 6 1 61 475.609 10

Activity (Go SEA)

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