UCSF

ZINC43453911

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) -2.47 3.38 -43.43 2 5 0 77 188.227 6
Hi High (pH 8-9.5) -2.47 2.05 -51.45 1 5 -1 72 187.219 6

Activity (Go SEA)

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