UCSF

ZINC43445224

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) -0.31 0.89 -91.27 5 4 2 56 231.384 7
Hi High (pH 8-9.5) -0.31 -1.38 -44.74 4 4 1 54 230.376 7

Activity (Go SEA)

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