UCSF

ZINC43417109

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 No

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 8.93 -9.83 0 4 0 45 268.792 6
Lo Low (pH 4.5-6) 1.92 8.68 -36.92 1 4 1 46 269.8 6

Activity (Go SEA)

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