UCSF

ZINC05250684

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 21 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) 1.93 -7.91 -16.5 1 6 0 83 332.447 5
Hi High (pH 8-9.5) 1.93 -7.34 -48.4 0 6 -1 85 331.439 5

Activity (Go SEA)

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