UCSF

ZINC47869532

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.77 6.79 -33.41 1 3 1 17 255.426 5
Hi High (pH 8-9.5) 2.77 4.52 -2.27 0 3 0 16 254.418 5

Activity (Go SEA)

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