UCSF

ZINC22575728

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 21 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) 2.66 4.98 -35.11 2 4 1 37 356.284 3
Hi High (pH 8-9.5) 2.66 3.47 -46.84 0 4 -1 39 354.268 3
Hi High (pH 8-9.5) 2.66 2.71 -6.53 1 4 0 36 355.276 3
Hi High (pH 8-9.5) 2.66 5.75 -54.82 1 4 0 40 355.276 3

Activity (Go SEA)

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