UCSF

ZINC39968831

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 20 No

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) 2.72 10.28 -42.25 3 4 1 43 374.715 7
Mid Mid (pH 6-8) 2.72 9.77 -13.5 2 4 0 42 373.707 7

Activity (Go SEA)

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