UCSF

ZINC21597256

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 33 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) 5.39 11.2 -12.88 1 6 0 69 488.947 7
Hi High (pH 8-9.5) 5.45 10.13 -47.34 0 6 -1 75 487.939 7

Activity (Go SEA)

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