UCSF

ZINC71539325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 21 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) 0.25 8.18 -59.12 2 8 0 91 285.311 4
Hi High (pH 8-9.5) 0.25 5.79 -17.31 2 8 0 91 285.311 4
Hi High (pH 8-9.5) 0.25 5.71 -54.76 1 8 -1 90 284.303 4
Mid Mid (pH 6-8) 0.32 6.75 -50.69 2 8 0 99 285.311 4
Mid Mid (pH 6-8) 0.25 8.34 -42.52 3 8 1 92 286.319 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.