UCSF

ZINC41586566

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 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) 4.83 13.99 -46.85 2 9 1 121 520.558 8
Hi High (pH 8-9.5) 4.83 14.74 -33.68 1 9 0 123 519.55 8
Hi High (pH 8-9.5) 4.83 11.73 -21.77 1 9 0 119 519.55 8

Activity (Go SEA)

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