UCSF

ZINC41392308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 13 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) -0.54 1.84 -35.89 2 4 1 45 187.263 4
Hi High (pH 8-9.5) -0.54 -0.47 -11.27 1 4 0 44 186.255 4

Activity (Go SEA)

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