UCSF

ZINC26806850

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 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) 3.60 8.46 -14.14 1 6 0 77 321.402 9
Hi High (pH 8-9.5) 3.60 8.3 -41.29 0 6 -1 75 320.394 9

Activity (Go SEA)

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