UCSF

ZINC57907515

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 20 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) 2.97 7.82 -55.17 2 4 1 57 341.204 3
Hi High (pH 8-9.5) 2.79 4.71 -38.07 0 4 -1 62 339.188 3
Hi High (pH 8-9.5) 2.97 5.62 -10.78 1 4 0 56 340.196 3

Activity (Go SEA)

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