UCSF

ZINC04572773

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 23 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) 2.84 6.06 -15.91 2 6 0 84 332.429 6
Hi High (pH 8-9.5) 3.03 4.4 -45.45 1 6 -1 90 331.421 6

Activity (Go SEA)

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