UCSF

ZINC80053762

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 28 Yes

CAS Number: 71989-20-3

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) 2.80 6.69 -79.99 4 7 0 115 384.432 10
Mid Mid (pH 6-8) 2.80 5.74 -54.24 3 7 -1 114 383.424 10

Vendor Notes

Note Type Comments Provided By
Melting_Point 224? dec. Alfa-Aesar
Melting_Point 224° dec. Alfa-Aesar

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

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