UCSF

ZINC25048714

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 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) 3.46 7.89 -14.47 1 5 0 54 375.472 4
Lo Low (pH 4.5-6) 3.46 9.89 -55.31 2 5 1 56 376.48 4

Activity (Go SEA)

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