UCSF

ZINC43413218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 No

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) 1.45 5.99 -55.53 1 4 -1 69 258.363 6
Lo Low (pH 4.5-6) 1.45 4 -13.57 2 4 0 66 259.371 6

Activity (Go SEA)

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