UCSF

ZINC16379798

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2008 25 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) 2.50 6.67 -46.33 2 5 1 46 352.474 8
Hi High (pH 8-9.5) 2.50 4.41 -9.61 1 5 0 45 351.466 8
Mid Mid (pH 6-8) 2.50 8.69 -97.78 3 5 2 47 353.482 8

Activity (Go SEA)

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