UCSF

ZINC19865037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 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) 2.55 6.05 -11.15 1 3 0 32 264.328 1
Mid Mid (pH 6-8) 2.55 7.09 -50.27 2 3 1 37 265.336 1

Activity (Go SEA)

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