UCSF

ZINC57826878

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 28 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) 2.41 10.5 -14.07 0 6 0 62 373.46 3
Lo Low (pH 4.5-6) 2.41 10.84 -40.71 1 6 1 63 374.468 3

Activity (Go SEA)

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