UCSF

ZINC46016983

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 24 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) 2.51 8.37 -19.66 2 5 0 75 335.388 2
Hi High (pH 8-9.5) 2.58 7.85 -73.31 1 5 -1 81 334.38 2

Activity (Go SEA)

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