UCSF

ZINC23441782

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 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) 2.87 8.18 -11.47 1 6 0 66 387.455 6
Lo Low (pH 4.5-6) 2.87 10.39 -46.9 2 6 1 67 388.463 6

Activity (Go SEA)

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