UCSF

ZINC43448431

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) -0.65 4.23 -51.74 2 5 1 63 237.327 6
Hi High (pH 8-9.5) -0.65 2.89 -13.84 1 5 0 58 236.319 6

Activity (Go SEA)

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