UCSF

ZINC48747415

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 25 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) 2.88 6.83 -45.94 2 5 1 48 343.447 7
Hi High (pH 8-9.5) 2.88 5.48 -7.48 1 5 0 43 342.439 7

Activity (Go SEA)

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