UCSF

ZINC05846668

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 26 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) 4.38 12.27 -39.41 2 3 1 34 351.514 8
Hi High (pH 8-9.5) 4.38 10.12 -10.77 1 3 0 32 350.506 8

Activity (Go SEA)

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