UCSF

ZINC43447869

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) 2.30 4.33 -5.13 0 4 0 39 229.32 6
Lo Low (pH 4.5-6) 2.30 6.34 -31.8 1 4 1 40 230.328 6

Activity (Go SEA)

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