UCSF

ZINC48630573

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 12 No

Popular Name: 5-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine 5-(5-methyl-1H-1,2,4-triazol-3-y…

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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) 0.13 2.31 -9.31 2 4 0 65 180.236 1 ↓
Mid Mid (pH 6-8) 0.13 2.31 -10.11 2 4 0 65 180.236 1 ↓
Mid Mid (pH 6-8) 0.13 2.37 -9.1 2 4 0 65 180.236 1 ↓
Mid Mid (pH 6-8) 0.13 2.37 -9.85 2 4 0 65 180.236 1 ↓

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

No pre-computed analogs available. Try a structural similarity search.