UCSF

ZINC07726197

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2006 27 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) 2.87 7.36 -39.11 2 7 1 78 371.413 9
Mid Mid (pH 6-8) 2.87 4.72 -11.65 1 7 0 77 370.405 9

Activity (Go SEA)

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