UCSF

ZINC36713739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 30 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) 2.35 7.23 -12.21 1 7 0 76 426.904 6
Mid Mid (pH 6-8) 2.35 9.49 -40.85 2 7 1 78 427.912 6

Activity (Go SEA)

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