UCSF

ZINC43403276

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.72 4.83 -48.27 4 4 1 63 266.39 3
Hi High (pH 8-9.5) 0.72 3.48 -9.92 3 4 0 58 265.382 3

Activity (Go SEA)

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