UCSF

ZINC39288150

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 12 Yes

Other Names:

MFCD08755586

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) 2.47 4.44 -44.35 1 3 -1 52 184.602 2
Lo Low (pH 4.5-6) 2.47 2.45 -5.59 2 3 0 49 185.61 2

Activity (Go SEA)

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