UCSF

ZINC16573417

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 34 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) 4.69 10.85 -16.32 1 7 0 78 456.546 8
Lo Low (pH 4.5-6) 4.69 11.14 -44.51 2 7 1 80 457.554 8

Activity (Go SEA)

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