UCSF

ZINC05204345

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 25 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) 2.71 -3.55 -16.74 1 6 0 81 357.435 5
Hi High (pH 8-9.5) 2.71 -2.97 -45.09 0 6 -1 83 356.427 5

Activity (Go SEA)

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