UCSF

ZINC72284063

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2012 18 Yes

Popular Name: 4-BOPH^.HCl 4-BOPH^.HCl

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CAS Number: 934991-96-5

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) 1.83 7.83 -44.91 2 3 1 37 247.362 4 ↓
Hi High (pH 8-9.5) 1.83 6.53 -7.99 1 3 0 32 246.354 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 197-201? Alfa-Aesar
Melting_Point 197-201° Alfa-Aesar

Activity (Go SEA)

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

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