UCSF

ZINC43700243

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -1.93 2.96 -71.46 4 5 1 75 230.332 4
Hi High (pH 8-9.5) -1.93 0.83 -32.89 3 5 0 74 229.324 4
Hi High (pH 8-9.5) -1.93 0.48 -43.41 2 5 -1 73 228.316 4

Activity (Go SEA)

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