UCSF

ZINC25130990

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 28 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) 3.65 10.81 -18.65 1 7 0 82 417.56 10
Hi High (pH 8-9.5) 3.83 9.73 -45.54 0 7 -1 88 416.552 10

Activity (Go SEA)

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