UCSF

ZINC25500780

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) -0.83 10.54 -268.06 0 9 -4 178 368.338 12
Lo Low (pH 4.5-6) -0.83 5.92 -197.15 1 9 -3 175 369.346 12

Activity (Go SEA)

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