UCSF

ZINC43700297

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) -2.24 3.75 -76.34 4 5 1 75 228.316 5
Hi High (pH 8-9.5) -2.24 1.48 -33.5 3 5 0 74 227.308 5
Hi High (pH 8-9.5) -2.24 1.13 -43.47 2 5 -1 73 226.3 5

Activity (Go SEA)

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