UCSF

ZINC43459118

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.51 7.68 -44.78 1 3 0 45 229.226 5
Hi High (pH 8-9.5) 1.51 5.35 -43.67 0 3 -1 43 228.218 5

Activity (Go SEA)

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