UCSF

ZINC05076406

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 28 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) 3.68 14.59 -15.49 0 8 0 75 389.5 9
Mid Mid (pH 6-8) 3.68 15.07 -35.51 1 8 1 77 390.508 9

Activity (Go SEA)

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