UCSF

ZINC43709052

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) -0.48 -0.86 -62.2 6 7 1 110 265.293 3
Hi High (pH 8-9.5) -0.48 -2.21 -20.73 5 7 0 105 264.285 3

Activity (Go SEA)

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