UCSF

ZINC66067932

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 21 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) 0.51 1.38 -19.5 3 6 0 87 293.298 6
Hi High (pH 8-9.5) 0.69 -1.28 -52.13 2 6 -1 94 292.29 6

Activity (Go SEA)

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

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