UCSF

ZINC57119620

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2011 23 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) 2.52 3.75 -40.89 1 7 -1 103 330.345 5
Lo Low (pH 4.5-6) 2.52 3.66 -12.81 2 7 0 101 331.353 5

Activity (Go SEA)

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