UCSF

ZINC34926415

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 Yes

Popular Name: MFCD12027554 MFCD12027554

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CAS Number: 1142215-21-1

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) 0.08 3.65 -55.25 2 6 -1 104 267.305 3 ↓
Lo Low (pH 4.5-6) 0.08 1.69 -13.56 3 6 0 101 268.313 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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