UCSF

ZINC54628766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 18 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) 3.25 6.76 -36.33 2 2 1 20 265.446 4
Lo Low (pH 4.5-6) 3.25 8.91 -98.13 3 2 2 21 266.454 4

Activity (Go SEA)

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