UCSF

ZINC23668577

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.26 10.47 -50.66 2 3 1 34 353.82 6
Mid Mid (pH 6-8) 4.26 8.47 -8.35 1 3 0 32 352.812 6

Activity (Go SEA)

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