UCSF

ZINC59413162

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 25 No

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) 2.86 6.87 -42.02 0 8 -1 120 381.411 6
Mid Mid (pH 6-8) 2.86 6.57 -13.07 1 8 0 118 382.419 6

Activity (Go SEA)

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

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