UCSF

ZINC05940136

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 23 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) 4.03 -4.51 -11.19 1 5 0 68 348.449 5
Hi High (pH 8-9.5) 4.03 -3.94 -43 0 5 -1 70 347.441 5

Activity (Go SEA)

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