UCSF

ZINC00872599

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 17 Yes

Popular Name: MFCD02741588 MFCD02741588

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CAS Numbers: 462066-99-5 , N/A

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) 3.28 7.82 -53.32 0 3 -1 53 246.673 1 ↓
Lo Low (pH 4.5-6) 3.28 8.19 -52.35 1 3 0 54 247.681 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 298° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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