UCSF

ZINC71316815

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2011 43 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) 9.16 21.95 -187.73 2 9 -3 162 609.869 32
Lo Low (pH 4.5-6) 9.16 19.97 -112.86 3 9 -2 159 610.877 32

Activity (Go SEA)

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