UCSF

ZINC55642219

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.36 1.7 -42.31 2 8 -1 120 353.358 5
Lo Low (pH 4.5-6) 1.90 3.64 -14.91 3 8 0 117 354.366 5

Activity (Go SEA)

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