UCSF

ZINC08854938

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.91 2.29 -13.97 0 7 0 91 489.568 8
Mid Mid (pH 6-8) 6.09 2.77 -13.39 0 7 0 91 489.568 8
Mid Mid (pH 6-8) 6.09 3.82 -26.66 0 7 0 91 489.568 8
Mid Mid (pH 6-8) 5.91 2.69 -15.38 0 7 0 91 489.568 8

Activity (Go SEA)

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