UCSF

ZINC34561109

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 No

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) 1.77 9.17 -46.85 1 7 1 60 434.553 1
Hi High (pH 8-9.5) 1.77 6.91 -13.39 0 7 0 59 433.545 1

Activity (Go SEA)

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