UCSF

ZINC41651169

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

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) 6.17 13.77 -14.25 0 6 0 57 508.618 7
Lo Low (pH 4.5-6) 6.17 16.61 -61.32 1 6 1 58 509.626 7

Activity (Go SEA)

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