UCSF

ZINC64219079

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2011 23 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) -5.09 -14.45 -106.3 12 11 2 204 342.345 4
Hi High (pH 8-9.5) -5.09 -15.33 -12.97 10 11 0 201 340.329 4
Mid Mid (pH 6-8) -5.09 -14.84 -48.25 11 11 1 203 341.337 4
Mid Mid (pH 6-8) -5.09 -14.89 -45.7 11 11 1 203 341.337 4

Vendor Notes

Note Type Comments Provided By
MP 245-247 °C(lit.) Indofine

Activity (Go SEA)

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

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