UCSF

ZINC48597389

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 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) 4.17 5.87 -9.12 2 4 0 62 341.23 3
Hi High (pH 8-9.5) 4.17 6.87 -45.04 1 4 -1 65 340.222 3

Activity (Go SEA)

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