UCSF

ZINC45166848

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 18 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) 4.51 6.97 -36.17 3 2 1 37 248.39 5
Hi High (pH 8-9.5) 4.51 7.72 -31.76 2 2 0 40 247.382 5

Activity (Go SEA)

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