UCSF

ZINC12357584

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2008 15 Yes

Popular Name: 4-Cyclopropyl-6-(difluoromethyl)-2-hydroxynicotinonitrile 4-Cyclopropyl-6-(difluoromethyl)…

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CAS Numbers: , 869944-65-0

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) 1.80 2.71 -44.96 0 3 -1 60 209.175 2 ↓
Lo Low (pH 4.5-6) 1.34 4.56 -18.58 1 3 0 57 210.183 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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