UCSF

ZINC13119792

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 21 No

Other Names:

MFCD03082776

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) 3.42 8.17 -9.24 0 4 0 47 295.367 2
Lo Low (pH 4.5-6) 3.42 8.65 -37.77 1 4 1 49 296.375 2

Activity (Go SEA)

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