UCSF

ZINC41166718

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 16 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) -0.54 3.28 -46.75 1 6 -1 95 225.224 5
Lo Low (pH 4.5-6) -0.54 1.31 -11.63 2 6 0 92 226.232 5

Activity (Go SEA)

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