UCSF

ZINC39751606

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 No

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) 4.33 6.74 -25.99 2 10 0 143 463.837 6
Hi High (pH 8-9.5) 4.39 4.08 -60 1 10 -1 149 462.829 6

Activity (Go SEA)

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