UCSF

ZINC64219760

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2011 16 No

Download: MOL2 SDF SMILES Flexibase

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) 1.30 3.83 -13.47 1 5 0 76 219.196 3
Hi High (pH 8-9.5) 1.76 1.42 -54.08 0 5 -1 79 218.188 3

Vendor Notes

Note Type Comments Provided By
MP 90-92 °C(lit.) Indofine

Activity (Go SEA)

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

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