UCSF

ZINC39367392

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 21 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) 3.89 11.29 -42.37 1 2 1 14 347.276 4
Hi High (pH 8-9.5) 3.89 9.07 -3.62 0 2 0 12 346.268 4

Activity (Go SEA)

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