UCSF

ZINC06671039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 17 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) 1.86 4.02 -44.39 2 4 1 51 257.379 5
Hi High (pH 8-9.5) 1.86 1.56 -8.67 1 4 0 49 256.371 5

Activity (Go SEA)

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