UCSF

ZINC05847895

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 24 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) 4.05 12.1 -31.96 1 3 1 23 328.476 11
Hi High (pH 8-9.5) 4.05 9.89 -5.51 0 3 0 22 327.468 11

Activity (Go SEA)

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