UCSF

ZINC43423072

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.68 6.1 -86.87 5 4 2 69 236.363 6
Hi High (pH 8-9.5) 1.68 5.74 -39.29 4 4 1 68 235.355 6

Activity (Go SEA)

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