UCSF

ZINC13545034

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 No

Popular Name: N-[2-(hydroxymethyl)-2,3-dihydro-1H-benzo[f]chromen-1-yl]-N,N'-dimethylthiourea N-[2-(hydroxymethyl)-2,3-dihydro…

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CAS Number: 321574-21-4

Other Names:

MFCD00231693

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) 2.92 4.9 -9.63 2 4 0 47 316.426 3 ↓
Ref Reference (pH 7) 2.88 5.59 -13.18 2 4 0 45 316.426 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 194 - 196 KeyOrganics

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Rings

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

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