UCSF

ZINC39723907

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 26 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) 6.10 11.52 -12.88 1 4 0 55 468.829 5
Mid Mid (pH 6-8) 6.17 10.57 -46.87 0 4 -1 61 467.821 5

Activity (Go SEA)

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