UCSF

ZINC19701958

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 22 No

Popular Name: MFCD02230838 MFCD02230838

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CAS Number: 138323-23-6

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) 2.79 3.4 -132.41 0 7 -2 114 333.35 4 ↓
Lo Low (pH 4.5-6) 2.79 3.38 -50.52 1 7 -1 112 334.358 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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