UCSF

ZINC05083990

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 27 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) 4.39 -3.54 -17.99 1 5 0 63 399.541 4
Hi High (pH 8-9.5) 4.39 -2.98 -60.18 0 5 -1 66 398.533 4

Activity (Go SEA)

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