UCSF

ZINC48737841

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 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) 2.36 4.73 -18.39 2 5 0 71 258.277 3
Hi High (pH 8-9.5) 2.36 5.74 -58.64 1 5 -1 74 257.269 3

Activity (Go SEA)

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