UCSF

ZINC34416549

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 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) -0.30 5.8 -53.89 0 6 -1 87 228.224 5
Lo Low (pH 4.5-6) -0.30 3.83 -13.92 1 6 0 84 229.232 5

Activity (Go SEA)

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