UCSF

ZINC60146824

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 17 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) 2.36 5.13 -86.24 5 3 2 44 245.455 10
Lo Low (pH 4.5-6) 2.36 5.12 -197.49 6 3 3 49 246.463 10

Activity (Go SEA)

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