UCSF

ZINC39265350

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 32 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) 5.14 12.18 -10.99 0 6 0 60 442.489 5
Mid Mid (pH 6-8) 5.14 14.39 -61.54 1 6 1 62 443.497 5

Activity (Go SEA)

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