UCSF

ZINC34926989

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 No

Popular Name: 4-(4-Amino-6-mercapto-1,2-dihydro-1,3,5-triazin-2-yl)-3-methoxyphenol 4-(4-Amino-6-mercapto-1,2-dihydr…

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CAS Number: 1142208-37-4

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) 0.68 2.39 -13.32 5 6 0 89 252.299 2 ↓
Mid Mid (pH 6-8) 0.55 2.64 -46.65 6 6 1 94 253.307 2 ↓
Mid Mid (pH 6-8) 0.68 2.33 -49.15 6 6 1 91 253.307 2 ↓
Mid Mid (pH 6-8) 0.55 2.18 -42.19 6 6 1 94 253.307 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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