UCSF

ZINC21716266

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 25 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) -0.23 7.08 -55.75 2 8 1 90 346.411 5
Hi High (pH 8-9.5) -0.23 4.85 -22.36 1 8 0 89 345.403 5

Activity (Go SEA)

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