UCSF

ZINC19434679

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 Yes

Popular Name: MFCD13561735 MFCD13561735

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1219960-61-8 , 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) 2.93 7.91 -116.2 3 2 2 21 212.381 3 ↓
Mid Mid (pH 6-8) 2.93 6.73 -30.05 2 2 1 16 211.373 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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