UCSF

ZINC25461302

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 2.85 7.38 -16.66 1 6 0 68 382.46 8
Lo Low (pH 4.5-6) 2.85 9.63 -49.07 2 6 1 69 383.468 8

Activity (Go SEA)

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