UCSF

ZINC43704638

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 12 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) -0.79 1.74 -45.31 0 5 -1 76 169.16 2
Lo Low (pH 4.5-6) -0.79 4.05 -56.5 1 5 0 78 170.168 2

Activity (Go SEA)

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