UCSF

ZINC43950228

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.37 10.56 -76.11 2 6 0 78 361.829 8
Hi High (pH 8-9.5) 5.37 8.09 -54.96 1 6 -1 77 360.821 8

Activity (Go SEA)

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