UCSF

ZINC39127764

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 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) 3.09 4.88 -12.57 2 5 0 67 329.425 4
Lo Low (pH 4.5-6) 3.09 5.37 -38.07 3 5 1 69 330.433 4

Activity (Go SEA)

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