UCSF

ZINC00321590

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: MFCD01005032 MFCD01005032

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CAS Number: 200417-51-2

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) 0.40 4.45 -53.05 1 5 -1 82 207.209 4 ↓
Lo Low (pH 4.5-6) 0.40 4.22 -52.51 2 5 0 83 208.217 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 179-180° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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