UCSF

ZINC42030406

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 17 Yes

Popular Name: (1S)-2-(1H-imidazol-4-yl)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanamine (1S)-2-(1H-imidazol-4-yl)-1-(5-m…

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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) -1.95 4.81 -40.53 4 6 1 87 235.315 5 ↓
Hi High (pH 8-9.5) -1.95 4.49 -12.43 3 6 0 85 234.307 5 ↓
Lo Low (pH 4.5-6) -1.95 5.35 -114.21 5 6 2 88 236.323 5 ↓

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

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