UCSF

ZINC51187732

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 22 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) 2.51 5.89 -41.7 4 4 1 69 297.378 8
Hi High (pH 8-9.5) 2.51 4.75 -8.87 3 4 0 64 296.37 8

Activity (Go SEA)

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