UCSF

ZINC51411744

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 26 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) 1.22 5.9 -14.86 3 6 0 87 348.406 6
Mid Mid (pH 6-8) 1.22 6.71 -47.78 4 6 1 88 349.414 6

Activity (Go SEA)

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