UCSF

ZINC39560674

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 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) 4.37 9.51 -129.34 3 3 2 30 344.421 7
Hi High (pH 8-9.5) 4.37 8.26 -33.09 2 3 1 26 343.413 7
Mid Mid (pH 6-8) 4.37 7.45 -46.22 2 3 1 29 343.413 7

Activity (Go SEA)

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