UCSF

ZINC16494756

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 22 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) 4.01 6.24 -14.38 2 5 0 71 294.358 4
Hi High (pH 8-9.5) 4.01 6.02 -43.97 1 5 -1 69 293.35 4
Hi High (pH 8-9.5) 4.01 6.32 -11.25 2 5 0 71 294.358 4
Hi High (pH 8-9.5) 4.01 6.33 -42.94 1 5 -1 69 293.35 4

Activity (Go SEA)

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