UCSF

ZINC01405430

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 17 Yes

Popular Name: 4-Butyrylbiphenyl 4-Butyrylbiphenyl

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CAS Number: 13211-01-3

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) 4.69 9.94 -7.63 0 1 0 17 224.303 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 355 TCI
MP 95 TCI
melting_point 98 - 102 KeyOrganics

Activity (Go SEA)

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