UCSF

ZINC71556398

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 30 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) 3.90 8.9 -48.84 1 7 0 84 447.582 10
Hi High (pH 8-9.5) 3.90 6.42 -52.79 0 7 -1 83 446.574 10
Mid Mid (pH 6-8) 4.83 8.71 -44.99 2 7 1 85 448.59 9

Activity (Go SEA)

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

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