UCSF

ZINC41763970

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.79 7.71 -46.51 1 3 -1 52 234.319 6
Lo Low (pH 4.5-6) 1.79 7.78 -30.36 2 3 0 57 235.327 6

Activity (Go SEA)

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