UCSF

ZINC49258045

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 2.71 8.7 -47.77 3 1 1 28 260.788 3
Hi High (pH 8-9.5) 2.71 8.71 -3.6 2 1 0 26 259.78 3

Activity (Go SEA)

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