UCSF

ZINC33794843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 38 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) 3.94 10.88 -16.59 1 8 0 88 519.642 10
Mid Mid (pH 6-8) 3.94 13.22 -52.6 2 8 1 89 520.65 10

Activity (Go SEA)

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