UCSF

ZINC03678268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 17 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) 0.44 5.34 -37.79 3 4 0 77 237.299 5
Hi High (pH 8-9.5) 0.44 5.03 -50.83 2 4 -1 75 236.291 5

Activity (Go SEA)

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