UCSF

ZINC39755086

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 32 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) 4.38 12.34 -17.73 1 10 0 132 472.552 8
Hi High (pH 8-9.5) 4.57 11.12 -37.32 0 10 -1 138 471.544 8

Activity (Go SEA)

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