UCSF

ZINC55059355

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 20 Yes

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) 2.91 9.04 -41.2 1 4 1 40 280.388 9
Hi High (pH 8-9.5) 2.91 6.69 -5.79 0 4 0 39 279.38 9

Activity (Go SEA)

Rings

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