UCSF

ZINC20076006

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 No

Popular Name: MFCD11155685 MFCD11155685

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1021235-49-3 , 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) -0.67 1.85 -6.55 4 5 0 82 235.287 2 ↓
Lo Low (pH 4.5-6) -0.67 0.79 -34.51 5 5 1 84 236.295 2 ↓
Lo Low (pH 4.5-6) -0.67 0.9 -30.84 5 5 1 84 236.295 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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