UCSF

ZINC96171517

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2014 15 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) -1.70 -7.93 -36.7 7 6 1 118 222.261 1
Mid Mid (pH 6-8) -1.70 -8.12 -7.35 6 6 0 116 221.253 1

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 183? dec. Alfa-Aesar
Melting_Point ca 183° dec. Alfa-Aesar

Activity (Go SEA)

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

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