UCSF

ZINC48525214

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 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) 0.44 6.03 -18.76 1 6 0 81 260.249 4
Hi High (pH 8-9.5) 0.89 3.3 -60.06 0 6 -1 84 259.241 4

Activity (Go SEA)

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