UCSF

ZINC48194292

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 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) 3.79 5.63 -7.75 2 3 0 49 281.764 3
Hi High (pH 8-9.5) 3.79 6.64 -47.27 1 3 -1 52 280.756 3

Activity (Go SEA)

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