UCSF

ZINC43400182

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) -0.89 4.06 -11.87 3 6 0 89 217.232 2
Lo Low (pH 4.5-6) -0.89 4.56 -29.4 4 6 1 91 218.24 2

Activity (Go SEA)

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