UCSF

ZINC43373939

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 23 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) 3.09 8.69 -17.26 1 5 0 58 340.399 5
Hi High (pH 8-9.5) 2.72 7.34 -45.45 0 5 -1 64 339.391 6

Activity (Go SEA)

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