UCSF

ZINC37804263

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.37 5.12 -40.59 2 5 1 63 229.3 5
Hi High (pH 8-9.5) 0.37 3.9 -12.92 1 5 0 59 228.292 5

Activity (Go SEA)

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