UCSF

ZINC34670948

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 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) 2.46 3.59 -9.45 1 5 0 51 341.423 9
Lo Low (pH 4.5-6) 2.46 5.85 -46.35 2 5 1 52 342.431 9

Activity (Go SEA)

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