UCSF

ZINC26157140

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.25 9.77 -18.55 1 6 0 85 430.482 6
Hi High (pH 8-9.5) 5.71 8.44 -44.78 0 6 -1 88 429.474 6
Mid Mid (pH 6-8) 5.25 10.27 -13.71 1 6 0 85 430.482 6

Activity (Go SEA)

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